1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine

C25H32FNO2 — CID 19832084

IUPAC1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
SMILESCOc1ccc(OCC2CN(C3CCCCC3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H32FNO2/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
InChIKeyPDDBICRBVKRRGY-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.65
Rot. Bonds6

About 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine

1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine (PubChem CID 19832084) has the molecular formula C25H32FNO2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
PubChem CID19832084
Molecular FormulaC25H32FNO2
Molecular Weight397.53 g/mol
Exact Mass397.24
IUPAC Name1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
SMILESCOc1ccc(OCC2CN(C3CCCCC3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H32FNO2/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
InChIKeyPDDBICRBVKRRGY-UHFFFAOYSA-N
XLogP5.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 18635514
(3S,4R)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 67842080
(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-1-cyclopentyl-4-(4-fluorophenyl)piperidine
CID 18635554
2,3-dihydroxybutanedioic acid;(3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 70401571
2,3-dihydroxybutanedioic acid;4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 23319406
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174931072
[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 11220784
1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine
CID 70449893
3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 4318392
(3R,4S)-1-butyl-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842256
(3R,4R)-3-[(4-methoxyphenoxy)methyl]-4-phenyl-1-(1,1,2-trifluoroethyl)piperidine;hydrobromide
CID 67638292
3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine
CID 58600274

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
The IUPAC name of 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine (CID 19832084) is 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine.
What is the SMILES notation for 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
The canonical SMILES for 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine is COc1ccc(OCC2CN(C3CCCCC3)CCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
The InChIKey is PDDBICRBVKRRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO2/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.
What are the key properties of 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine?
1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine has a molecular weight of 397.53 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 19832084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).