(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride

C25H33ClFNO2 — CID 18635514

IUPAC(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCOc1ccc(OC[C@H]2CN(C3CCCCC3)CC[C@@H]2c2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C25H32FNO2.ClH/c1-28-23-11-13-24(14-12-23)29-18-20-17-27(22-5-3-2-4-6-22)16-15-25(20)19-7-9-21(26)10-8-19;/h7-14,20,22,25H,2-6,15-18H2,1H3;1H/t20-,25-;/m1./s1
InChIKeySXDDQPIQJKBLRM-RGFBGPCLSA-N
MW434.00 g/mol
LogP6.07
Rot. Bonds6

About (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride

(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride (PubChem CID 18635514) has the molecular formula C25H33ClFNO2 and a molecular weight of 434.00 g/mol. Its IUPAC name is (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
PubChem CID18635514
Molecular FormulaC25H33ClFNO2
Molecular Weight434.00 g/mol
Exact Mass433.22
IUPAC Name(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCOc1ccc(OC[C@H]2CN(C3CCCCC3)CC[C@@H]2c2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C25H32FNO2.ClH/c1-28-23-11-13-24(14-12-23)29-18-20-17-27(22-5-3-2-4-6-22)16-15-25(20)19-7-9-21(26)10-8-19;/h7-14,20,22,25H,2-6,15-18H2,1H3;1H/t20-,25-;/m1./s1
InChIKeySXDDQPIQJKBLRM-RGFBGPCLSA-N
XLogP6.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.00
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;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 (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride (CID 18635514) is (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride is COc1ccc(OC[C@H]2CN(C3CCCCC3)CC[C@@H]2c2ccc(F)cc2)cc1.Cl.
What is the InChIKey of (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is SXDDQPIQJKBLRM-RGFBGPCLSA-N. The full InChI is InChI=1S/C25H32FNO2.ClH/c1-28-23-11-13-24(14-12-23)29-18-20-17-27(22-5-3-2-4-6-22)16-15-25(20)19-7-9-21(26)10-8-19;/h7-14,20,22,25H,2-6,15-18H2,1H3;1H/t20-,25-;/m1./s1.
What are the key properties of (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride?
(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 18635514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).