1-(2-hydroxybutyl)piperidine-4-carbonitrile

C10H18N2O — CID 63631900

IUPAC1-(2-hydroxybutyl)piperidine-4-carbonitrile
SMILESCCC(O)CN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O/c1-2-10(13)8-12-5-3-9(7-11)4-6-12/h9-10,13H,2-6,8H2,1H3
InChIKeyWQHLUHPVGRFKSS-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.99
Rot. Bonds3

About 1-(2-hydroxybutyl)piperidine-4-carbonitrile

1-(2-hydroxybutyl)piperidine-4-carbonitrile (PubChem CID 63631900) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxybutyl)piperidine-4-carbonitrile
PubChem CID63631900
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-hydroxybutyl)piperidine-4-carbonitrile
SMILESCCC(O)CN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O/c1-2-10(13)8-12-5-3-9(7-11)4-6-12/h9-10,13H,2-6,8H2,1H3
InChIKeyWQHLUHPVGRFKSS-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
CID 63979053
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-[4-(ethylamino)piperidin-1-yl]butan-2-ol
CID 60883910
1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 62198498
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol
CID 75380936
1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63170952
1-[3-(methylamino)pyrrolidin-1-yl]butan-2-ol
CID 115300562

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-hydroxybutyl)piperidine-4-carbonitrile (CID 63631900) is 1-(2-hydroxybutyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-hydroxybutyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-hydroxybutyl)piperidine-4-carbonitrile is CCC(O)CN1CCC(C#N)CC1.
What is the InChIKey of 1-(2-hydroxybutyl)piperidine-4-carbonitrile?
The InChIKey is WQHLUHPVGRFKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(13)8-12-5-3-9(7-11)4-6-12/h9-10,13H,2-6,8H2,1H3.
What are the key properties of 1-(2-hydroxybutyl)piperidine-4-carbonitrile?
1-(2-hydroxybutyl)piperidine-4-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)piperidine-4-carbonitrile is sourced from PubChem (CID 63631900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).