2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile

C12H20N2O — CID 43291712

IUPAC2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCC(O)CC1
InChIInChI=1S/C12H20N2O/c13-9-10-3-1-2-4-12(10)14-7-5-11(15)6-8-14/h10-12,15H,1-8H2
InChIKeyXDQNTHAGDXTPSQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.53
Rot. Bonds1

About 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile

2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 43291712) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID43291712
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCC(O)CC1
InChIInChI=1S/C12H20N2O/c13-9-10-3-1-2-4-12(10)14-7-5-11(15)6-8-14/h10-12,15H,1-8H2
InChIKeyXDQNTHAGDXTPSQ-UHFFFAOYSA-N
XLogP1.53
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 10058904
1-(4-Hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 10561007
1-[3-(Hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
CID 10846697
1-[(2-Aminocyclohexyl)methyl]piperidin-4-ol
CID 18979107
4-(4-Methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 20268656
1-(4-Methylcyclohexyl)piperidin-4-ol
CID 23827588
1-(Cyclohexylmethyl)piperidin-4-ol
CID 45851642
1-(3-Methylcyclohexyl)piperidin-4-ol
CID 64249294
1-(2-Methylcyclohexyl)piperidin-4-ol
CID 67282293
3-(4-Hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 70167967
4-Hydroxy-1-propan-2-ylpiperidine-3-carbonitrile
CID 83846069
(2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile
CID 134385177

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile (CID 43291712) is 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile is N#CC1CCCCC1N1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is XDQNTHAGDXTPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-9-10-3-1-2-4-12(10)14-7-5-11(15)6-8-14/h10-12,15H,1-8H2.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile?
2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43291712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).