1-Piperidinepropanol

C₈H₁₇NOCAS 104-58-5143.23 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₈H₁₇NO
Molar mass: 143.23 g/mol
Exact mass: 143.1310 Da
Density: 0.9585 g/mL (at 29 °C)
Boiling point: 225–228 °C (at 750 Torr)
logP: 0.85Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled12% of notifiers
H302 Harmful if swallowed12% of notifiers
H312 Harmful in contact with skin12% of notifiers
H314 Causes severe skin burns and eye damage12% of notifiers
H315 Causes skin irritation88% of notifiers
H319 Causes serious eye irritation86% of notifiers
H332 Harmful if inhaled12% of notifiers
H335 May cause respiratory irritation86% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

104-58-5

SMILES

OCCCN1CCCCC1

InChIKey

PLRXAFVBCHEMGD-UHFFFAOYSA-N

InChI

InChI=1S/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

3-Piperidino-1-propanol
3-Piperidinopropanol
3-(1-Piperidinyl)propanol
1-(3-Hydroxypropyl)piperidine
3-(Piperidin-1-yl)propan-1-ol
NSC 66531
N-(3-Hydroxypropyl)piperidine
3-(1-Piperidyl)propan-1-ol
Piperidine-1-propanol

Work with 1-Piperidinepropanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Pyrrolidinepropanol19748-66-493 % similar 1-Piperidineethanol3040-44-676 % similar 1-Pyrrolidineethanol2955-88-671 % similar 3-Morpholino-1-propanol4441-30-962 % similar Piperazin-1-ylpropanol5317-32-862 % similar 3-(4-Methyl-1-piperazine)propan-1-ol5317-33-959 % similar 3-(Diethylamino)-1-propanol622-93-557 % similar Stearyldiethanolamine10213-78-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Piperidyl)-2-propanol22990-34-7 Valpromide2430-27-5 2-(Cyclohexylamino)ethanol2842-38-8 4-(Diethylamino)butan-2-one3299-38-5 1-Dimethylamino-2-methylpentan-3-one51690-03-0 N,N-Dimethylhexanamide5830-30-8 4-Piperidinepropanol7037-49-2 (S)-2-Amino-2-cyclohexyl-ethanol845714-30-9

Elsewhere

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