4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile

C12H16N2O — CID 123377462

IUPAC4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile
SMILESN#CC1=CC=C(N2CCC(O)CC2)CC1
InChIInChI=1S/C12H16N2O/c13-9-10-1-3-11(4-2-10)14-7-5-12(15)6-8-14/h1,3,12,15H,2,4-8H2
InChIKeyZABRUOQEIJKWFV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.57
Rot. Bonds1

About 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile

4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 123377462) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile
PubChem CID123377462
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile
SMILESN#CC1=CC=C(N2CCC(O)CC2)CC1
InChIInChI=1S/C12H16N2O/c13-9-10-1-3-11(4-2-10)14-7-5-12(15)6-8-14/h1,3,12,15H,2,4-8H2
InChIKeyZABRUOQEIJKWFV-UHFFFAOYSA-N
XLogP1.57
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile (CID 123377462) is 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile is N#CC1=CC=C(N2CCC(O)CC2)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is ZABRUOQEIJKWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-9-10-1-3-11(4-2-10)14-7-5-12(15)6-8-14/h1,3,12,15H,2,4-8H2.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 204.27 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 123377462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).