[1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol

C20H30FNO — CID 23723526

IUPAC[1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(CC2CCCCC2)C1
InChIInChI=1S/C20H30FNO/c21-19-10-5-4-9-18(19)13-20(16-23)11-6-12-22(15-20)14-17-7-2-1-3-8-17/h4-5,9-10,17,23H,1-3,6-8,11-16H2
InChIKeyVWWQAARRMRUNRZ-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.02
Rot. Bonds5

About [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol

[1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 23723526) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID23723526
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name[1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(CC2CCCCC2)C1
InChIInChI=1S/C20H30FNO/c21-19-10-5-4-9-18(19)13-20(16-23)11-6-12-22(15-20)14-17-7-2-1-3-8-17/h4-5,9-10,17,23H,1-3,6-8,11-16H2
InChIKeyVWWQAARRMRUNRZ-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-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 [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 23723526) is [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2ccccc2F)CCCN(CC2CCCCC2)C1.
What is the InChIKey of [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is VWWQAARRMRUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO/c21-19-10-5-4-9-18(19)13-20(16-23)11-6-12-22(15-20)14-17-7-2-1-3-8-17/h4-5,9-10,17,23H,1-3,6-8,11-16H2.
What are the key properties of [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 319.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 23723526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).