1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride

C19H30ClNO — CID 134823876

IUPAC1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride
SMILESCl.OC(Cc1ccccn1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H29NO.ClH/c21-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h7-8,13-14,16-17,21H,1-6,9-12,15H2;1H
InChIKeyXGFCBDJMOCVHDF-UHFFFAOYSA-N
MW323.91 g/mol
LogP4.94
Rot. Bonds4

About 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride

1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride (PubChem CID 134823876) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride.

Molecular Properties

Compound Name1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride
PubChem CID134823876
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC Name1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride
SMILESCl.OC(Cc1ccccn1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H29NO.ClH/c21-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h7-8,13-14,16-17,21H,1-6,9-12,15H2;1H
InChIKeyXGFCBDJMOCVHDF-UHFFFAOYSA-N
XLogP4.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride?
The IUPAC name of 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride (CID 134823876) is 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride.
What is the SMILES notation for 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride?
The canonical SMILES for 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride is Cl.OC(Cc1ccccn1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride?
The InChIKey is XGFCBDJMOCVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO.ClH/c21-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h7-8,13-14,16-17,21H,1-6,9-12,15H2;1H.
What are the key properties of 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride?
1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride has a molecular weight of 323.91 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-2-pyridin-2-ylethanol;hydrochloride is sourced from PubChem (CID 134823876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).