4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol

C22H28ClNO — CID 69352188

IUPAC4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCCC(Cc3ccc4ccccc4c3Cl)C2)CC1
InChIInChI=1S/C22H28ClNO/c23-22-18(8-7-17-5-1-2-6-21(17)22)14-16-4-3-13-24(15-16)19-9-11-20(25)12-10-19/h1-2,5-8,16,19-20,25H,3-4,9-15H2
InChIKeySTGZNNJXSCUDNC-UHFFFAOYSA-N
MW357.92 g/mol
LogP5.05
Rot. Bonds3

About 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol

4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 69352188) has the molecular formula C22H28ClNO and a molecular weight of 357.92 g/mol. Its IUPAC name is 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID69352188
Molecular FormulaC22H28ClNO
Molecular Weight357.92 g/mol
Exact Mass357.19
IUPAC Name4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCCC(Cc3ccc4ccccc4c3Cl)C2)CC1
InChIInChI=1S/C22H28ClNO/c23-22-18(8-7-17-5-1-2-6-21(17)22)14-16-4-3-13-24(15-16)19-9-11-20(25)12-10-19/h1-2,5-8,16,19-20,25H,3-4,9-15H2
InChIKeySTGZNNJXSCUDNC-UHFFFAOYSA-N
XLogP5.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol 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-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol (CID 69352188) is 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol is OC1CCC(N2CCCC(Cc3ccc4ccccc4c3Cl)C2)CC1.
What is the InChIKey of 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is STGZNNJXSCUDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO/c23-22-18(8-7-17-5-1-2-6-21(17)22)14-16-4-3-13-24(15-16)19-9-11-20(25)12-10-19/h1-2,5-8,16,19-20,25H,3-4,9-15H2.
What are the key properties of 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol?
4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 357.92 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-chloronaphthalen-2-yl)methyl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 69352188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).