1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine

C26H33NO2 — CID 11703842

IUPAC1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine
SMILESCOc1ccccc1-c1ccc(OC)c(C2CCN([C@@H]3CC4CCC3C4)CC2)c1
InChIInChI=1S/C26H33NO2/c1-28-25-6-4-3-5-22(25)20-9-10-26(29-2)23(17-20)19-11-13-27(14-12-19)24-16-18-7-8-21(24)15-18/h3-6,9-10,17-19,21,24H,7-8,11-16H2,1-2H3/t18?,21?,24-/m1/s1
InChIKeyHPKGBJGLWMVPRL-SXKUEDQZSA-N
MW391.56 g/mol
LogP5.74
Rot. Bonds5

About 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine

1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine (PubChem CID 11703842) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine
PubChem CID11703842
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine
SMILESCOc1ccccc1-c1ccc(OC)c(C2CCN([C@@H]3CC4CCC3C4)CC2)c1
InChIInChI=1S/C26H33NO2/c1-28-25-6-4-3-5-22(25)20-9-10-26(29-2)23(17-20)19-11-13-27(14-12-19)24-16-18-7-8-21(24)15-18/h3-6,9-10,17-19,21,24H,7-8,11-16H2,1-2H3/t18?,21?,24-/m1/s1
InChIKeyHPKGBJGLWMVPRL-SXKUEDQZSA-N
XLogP5.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]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

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,5-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58772399
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,4-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58772124
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 58772326
1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine
CID 58772181
1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methylphenyl)phenyl]piperidine
CID 58772199
4-[3-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]aniline
CID 88979595
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-phenylethynyl)phenyl]piperidine
CID 66970923
N-[4-[3-[1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]phenyl]acetamide
CID 58772355
1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(2,3-dimethoxyphenyl)phenyl]piperidine
CID 58772096
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-ethyl-2-methoxyphenyl)piperidine
CID 70795098
1-(2-bicyclo[2.2.1]heptanyl)-4-[5-(4-ethylsulfonylphenyl)-2-methoxyphenyl]piperidine
CID 58772228
1-[3-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]-2-methylpropan-1-one
CID 66970812

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine?
The IUPAC name of 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine (CID 11703842) is 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine.
What is the SMILES notation for 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine?
The canonical SMILES for 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine is COc1ccccc1-c1ccc(OC)c(C2CCN([C@@H]3CC4CCC3C4)CC2)c1.
What is the InChIKey of 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine?
The InChIKey is HPKGBJGLWMVPRL-SXKUEDQZSA-N. The full InChI is InChI=1S/C26H33NO2/c1-28-25-6-4-3-5-22(25)20-9-10-26(29-2)23(17-20)19-11-13-27(14-12-19)24-16-18-7-8-21(24)15-18/h3-6,9-10,17-19,21,24H,7-8,11-16H2,1-2H3/t18?,21?,24-/m1/s1.
What are the key properties of 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine?
1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine has a molecular weight of 391.56 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine is sourced from PubChem (CID 11703842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).