cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol

C18H27NO — CID 54290606

IUPACcis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18+/m0/s1
InChIKeyRXFQMDZDBCAQHP-ZWKOTPCHSA-N
MW273.42 g/mol
LogP3.42
Rot. Bonds3

About cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol

cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 54290606) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID54290606
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Namecis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18+/m0/s1
InChIKeyRXFQMDZDBCAQHP-ZWKOTPCHSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]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 cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol (CID 54290606) is cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is RXFQMDZDBCAQHP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol?
cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 54290606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).