2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol

C17H22ClNO — CID 15925812

IUPAC2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-9,16-17,20H,1-4,10-12H2
InChIKeyOPBZGCRRDODBBI-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.73
Rot. Bonds2

About 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol

2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol (PubChem CID 15925812) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol
PubChem CID15925812
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-9,16-17,20H,1-4,10-12H2
InChIKeyOPBZGCRRDODBBI-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol (CID 15925812) is 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol?
The InChIKey is OPBZGCRRDODBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-9,16-17,20H,1-4,10-12H2.
What are the key properties of 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol?
2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol has a molecular weight of 291.82 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).