1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine

C25H30FNO — CID 58771973

IUPAC1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine
SMILESCOc1ccc(-c2cccc(F)c2)cc1C1CCN([C@@H]2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C25H30FNO/c1-28-25-8-7-20(19-3-2-4-22(26)15-19)16-23(25)18-9-11-27(12-10-18)24-14-17-5-6-21(24)13-17/h2-4,7-8,15-18,21,24H,5-6,9-14H2,1H3/t17-,21?,24+/m0/s1
InChIKeySXNZYRTVUKAGAT-VIAURONVSA-N
MW379.52 g/mol
LogP5.87
Rot. Bonds4

About 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine

1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine (PubChem CID 58771973) has the molecular formula C25H30FNO and a molecular weight of 379.52 g/mol. Its IUPAC name is 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine.

Molecular Properties

Compound Name1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine
PubChem CID58771973
Molecular FormulaC25H30FNO
Molecular Weight379.52 g/mol
Exact Mass379.23
IUPAC Name1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine
SMILESCOc1ccc(-c2cccc(F)c2)cc1C1CCN([C@@H]2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C25H30FNO/c1-28-25-8-7-20(19-3-2-4-22(26)15-19)16-23(25)18-9-11-27(12-10-18)24-14-17-5-6-21(24)13-17/h2-4,7-8,15-18,21,24H,5-6,9-14H2,1H3/t17-,21?,24+/m0/s1
InChIKeySXNZYRTVUKAGAT-VIAURONVSA-N
XLogP5.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]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

(3RS)-3-(2-Methoxy-5-methylphenyl)-N,N-bis(1-methylethyl)-3-phenylpropan-1-amine
CID 9923998
(3R)-3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 16037376
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 11303962
1-Cyclohexyl-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine
CID 11659573
1-(3-Bicyclo[3.2.1]octanyl)-4-fluoro-4-(5-fluoro-2-methoxyphenyl)piperidine
CID 11667168
1-(2-Bicyclo[2.2.2]octanylmethyl)-4-(5-fluoro-2-methoxyphenyl)piperidine
CID 11709724
3-(4-fluorophenyl)-3-(2-methoxyphenyl)-N,N-di(propan-2-yl)propan-1-amine
CID 20097381
3-(2-Methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine--hydrogen bromide (1/1)
CID 23140828
1'-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]
CID 58624075
1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine
CID 58771931
4-(5-Fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine
CID 58771936
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,3-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58771937

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine?
The IUPAC name of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine (CID 58771973) is 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine.
What is the SMILES notation for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine?
The canonical SMILES for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine is COc1ccc(-c2cccc(F)c2)cc1C1CCN([C@@H]2C[C@H]3CCC2C3)CC1.
What is the InChIKey of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine?
The InChIKey is SXNZYRTVUKAGAT-VIAURONVSA-N. The full InChI is InChI=1S/C25H30FNO/c1-28-25-8-7-20(19-3-2-4-22(26)15-19)16-23(25)18-9-11-27(12-10-18)24-14-17-5-6-21(24)13-17/h2-4,7-8,15-18,21,24H,5-6,9-14H2,1H3/t17-,21?,24+/m0/s1.
What are the key properties of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine?
1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine has a molecular weight of 379.52 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(3-fluorophenyl)-2-methoxyphenyl]piperidine is sourced from PubChem (CID 58771973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).