[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol

C12H14ClNO — CID 46856198

IUPAC[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol
SMILESOCC1=C(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,14-15H,5-8H2
InChIKeyUMRXRVBFHDQLGF-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.08
Rot. Bonds2

About [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol

[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol (PubChem CID 46856198) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol
PubChem CID46856198
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol
SMILESOCC1=C(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,14-15H,5-8H2
InChIKeyUMRXRVBFHDQLGF-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol 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 [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol?
The IUPAC name of [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol (CID 46856198) is [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol.
What is the SMILES notation for [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol?
The canonical SMILES for [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol is OCC1=C(c2ccc(Cl)cc2)CCNC1.
What is the InChIKey of [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol?
The InChIKey is UMRXRVBFHDQLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,14-15H,5-8H2.
What are the key properties of [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol?
[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol has a molecular weight of 223.70 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol is sourced from PubChem (CID 46856198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).