2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile

C10H18N2O — CID 139986737

IUPAC2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCCC1CCCO
InChIInChI=1S/C10H18N2O/c11-6-8-12-7-2-1-4-10(12)5-3-9-13/h10,13H,1-5,7-9H2
InChIKeyXLBCXNHXTNLJDI-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.14
Rot. Bonds4

About 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile

2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile (PubChem CID 139986737) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile
PubChem CID139986737
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCCC1CCCO
InChIInChI=1S/C10H18N2O/c11-6-8-12-7-2-1-4-10(12)5-3-9-13/h10,13H,1-5,7-9H2
InChIKeyXLBCXNHXTNLJDI-UHFFFAOYSA-N
XLogP1.14
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
CID 126988793
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 62467729
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile (CID 139986737) is 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile is N#CCN1CCCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile?
The InChIKey is XLBCXNHXTNLJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-6-8-12-7-2-1-4-10(12)5-3-9-13/h10,13H,1-5,7-9H2.
What are the key properties of 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile?
2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 139986737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).