3-hydroxypiperidine-2-carbonitrile

C6H10N2O — CID 146783264

IUPAC3-hydroxypiperidine-2-carbonitrile
SMILESN#CC1NCCCC1O
InChIInChI=1S/C6H10N2O/c7-4-5-6(9)2-1-3-8-5/h5-6,8-9H,1-3H2
InChIKeyRUBZJYGNOBXRSP-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.38
Rot. Bonds

About 3-hydroxypiperidine-2-carbonitrile

3-hydroxypiperidine-2-carbonitrile (PubChem CID 146783264) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-hydroxypiperidine-2-carbonitrile.

Molecular Properties

Compound Name3-hydroxypiperidine-2-carbonitrile
PubChem CID146783264
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-hydroxypiperidine-2-carbonitrile
SMILESN#CC1NCCCC1O
InChIInChI=1S/C6H10N2O/c7-4-5-6(9)2-1-3-8-5/h5-6,8-9H,1-3H2
InChIKeyRUBZJYGNOBXRSP-UHFFFAOYSA-N
XLogP-0.38
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepane-2,3,4-triol
CID 18417369
3-aminopyrrolidine-2-carbonitrile
CID 149437349
2-cyclobutylpiperidin-3-ol
CID 115012112
2-hydroxycyclohexane-1-carbonitrile
CID 543100
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
2-chloropiperidine-3-carbonitrile
CID 42628756
piperidine-2-carbonitrile
CID 71315056
2-ethylpiperidin-3-ol;hydrochloride
CID 115013101
3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
2-pyrrolidin-2-ylcyclooctan-1-ol
CID 79560078
2-cycloheptylpiperidin-3-ol;hydrochloride
CID 115039926
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
CID 25004234

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypiperidine-2-carbonitrile?
The IUPAC name of 3-hydroxypiperidine-2-carbonitrile (CID 146783264) is 3-hydroxypiperidine-2-carbonitrile.
What is the SMILES notation for 3-hydroxypiperidine-2-carbonitrile?
The canonical SMILES for 3-hydroxypiperidine-2-carbonitrile is N#CC1NCCCC1O.
What is the InChIKey of 3-hydroxypiperidine-2-carbonitrile?
The InChIKey is RUBZJYGNOBXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-4-5-6(9)2-1-3-8-5/h5-6,8-9H,1-3H2.
What are the key properties of 3-hydroxypiperidine-2-carbonitrile?
3-hydroxypiperidine-2-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypiperidine-2-carbonitrile is sourced from PubChem (CID 146783264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).