3-(4-Methyl-1-piperazine)propan-1-ol

C₈H₁₈N₂OCAS 5317-33-9158.24 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₈H₁₈N₂O
Molar mass: 158.24 g/mol
Exact mass: 158.1419 Da
Melting point: 30 °C
Boiling point: 108–110 °C (at 3 Torr)
logP: -0.38Crippen estimate
Polar surface area: 26.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5317-33-9

SMILES

CN1CCN(CCCO)CC1

InChIKey

JKRSQNBRNIYETC-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h11H,2-8H2,1H3

Weigh it out

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

Names and synonyms

8 names

1-(3-Hydroxypropyl)-4-methylpiperazine
1-Piperazinepropanol, 4-methyl-
4-Methyl-1-piperazinepropanol
3-(4-Methyl-1-piperazinyl)propanol
1-Methyl-4-(3-hydroxypropyl)piperazine
3-(4-Methyl-1-piperazinyl)-1-propanol
NSC 351986
NSC 79874

Work with 3-(4-Methyl-1-piperazine)propan-1-ol

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

4-(4-Methylpiperazin-1-yl)butan-1-ol56323-03-686 % similar 4-Methyl-1-piperazineethanol5464-12-073 % similar 1-Pyrrolidinepropanol19748-66-462 % similar 1-Piperidinepropanol104-58-559 % similar Methyl diethanolamine105-59-955 % similar 1-(3-Chloropropyl)-4-methylpiperazine104-16-554 % similar 1-(3-Aminopropyl)-4-methylpiperazine4572-03-654 % similar 3-(Diethylamino)-1-propanol622-93-552 % similar

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

Same formula

1-(2-Ethoxyethyl)piperazine13484-38-3 2-Methyl-2-(morpholin-4-yl)propan-1-amine173336-43-1 N-(2-Dimethylaminoethyl)morpholine4385-05-1 Octanoic hydrazide6304-39-8 N-Nitrosodibutylamine924-16-3

Elsewhere

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