Piperazin-1-ylpropanol

C₇H₁₆N₂OCAS 5317-32-8144.22 g/mol

Open in Covalent MOL file

Alcohol Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₆N₂O
Molar mass: 144.22 g/mol
Exact mass: 144.1263 Da
Melting point: 200–215 °C
Boiling point: 115–120 °C (at 0.7 Torr)
logP: -0.73Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation11.6% of notifiers
H319 Causes serious eye irritation90.7% of notifiers
H335 May cause respiratory irritation11.6% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5317-32-8

SMILES

OCCCN1CCNCC1

InChIKey

LWEOFVINMVZGAS-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2

Weigh it out

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

Names and synonyms

9 names

1-Piperazinepropanol
3-(1-Piperazinyl)-1-propanol
N-(3-Hydroxypropyl)piperazine
1-(3-Hydroxypropyl)piperazine
1-(3-Hydroxy-1-propyl)piperazine
3-(1-Piperazinyl)propanol
4-(3-Hydroxypropyl)piperazine
1-(3-Hydroxypropyl)-4-piperazine
3-(Piperazin-1-yl)propan-1-ol

Work with Piperazin-1-ylpropanol

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-Piperazineethanol103-76-471 % similar 1-Pyrrolidinepropanol19748-66-465 % similar 1-Piperidinepropanol104-58-562 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-562 % similar 1-(2-Piperidinoethyl)piperazine22763-65-159 % similar 1-[2-(2-Hydroxyethoxy)ethyl]piperazine13349-82-156 % similar 3-Morpholino-1-propanol4441-30-952 % similar 1-Butylpiperazine5610-49-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(3-Aminopropyl)morpholine123-00-2 1-(2-Methoxyethyl)piperazine13484-40-7 (1,4-Dimethylpiperazin-2-yl)methanol14675-44-6 4-(Aminomethyl)-1-methylpiperidin-4-ol26228-68-2 3-(Diethylamino)propanamide3813-27-2 4-Methyl-1-piperazineethanol5464-12-0 (2S)-2-Amino-N,3,3-trimethylbutanamide89226-12-0

Elsewhere

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