4-(4-Methylpiperazin-1-yl)butan-1-ol

C₉H₂₀N₂OCAS 56323-03-6172.27 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₉H₂₀N₂O
Molar mass: 172.27 g/mol
Exact mass: 172.1576 Da
logP: 0.01Crippen estimate
Polar surface area: 26.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

56323-03-6

SMILES

CN1CCN(CC1)CCCCO

InChIKey

GSFOUKVQYFLTRA-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-(4-Hydroxybutyl)-4-methylpiperazine

Work with 4-(4-Methylpiperazin-1-yl)butan-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

3-(4-Methyl-1-piperazine)propan-1-ol5317-33-986 % similar 4-Methyl-1-piperazineethanol5464-12-070 % similar 1-Pyrrolidinepropanol19748-66-459 % similar 1-Piperidinepropanol104-58-557 % similar Methyl diethanolamine105-59-952 % similar 1-Pyrrolidineethanol2955-88-652 % similar 1-(3-Chloropropyl)-4-methylpiperazine104-16-552 % similar 1-(3-Aminopropyl)-4-methylpiperazine4572-03-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Isopropylpiperazin-1-yl)ethanol103069-50-7 N,N,N′,N′-Tetraethylurea1187-03-7 Dibutylurea1792-17-2 1-(3-Methoxypropyl)-4-piperidinamine179474-79-4

Elsewhere

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