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

C26H33NO2 — CID 58772181

IUPAC1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine
SMILESCOc1cccc(-c2ccc(OC)c(C3CCN([C@@H]4C[C@H]5CCC4C5)CC3)c2)c1
InChIInChI=1S/C26H33NO2/c1-28-23-5-3-4-20(16-23)21-8-9-26(29-2)24(17-21)19-10-12-27(13-11-19)25-15-18-6-7-22(25)14-18/h3-5,8-9,16-19,22,25H,6-7,10-15H2,1-2H3/t18-,22?,25+/m0/s1
InChIKeyYQUQBVMBEDQUCE-RNDFPHBYSA-N
MW391.56 g/mol
LogP5.74
Rot. Bonds5

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

1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine (PubChem CID 58772181) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine
PubChem CID58772181
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine
SMILESCOc1cccc(-c2ccc(OC)c(C3CCN([C@@H]4C[C@H]5CCC4C5)CC3)c2)c1
InChIInChI=1S/C26H33NO2/c1-28-23-5-3-4-20(16-23)21-8-9-26(29-2)24(17-21)19-10-12-27(13-11-19)25-15-18-6-7-22(25)14-18/h3-5,8-9,16-19,22,25H,6-7,10-15H2,1-2H3/t18-,22?,25+/m0/s1
InChIKeyYQUQBVMBEDQUCE-RNDFPHBYSA-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,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine with MolForge

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Related Compounds

1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methylphenyl)phenyl]piperidine
CID 58772199
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 58772326
1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine
CID 11703842
4-[3-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]aniline
CID 88979595
N-[4-[3-[1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]phenyl]acetamide
CID 58772355
1-(2-bicyclo[2.2.1]heptanyl)-4-[5-(4-ethylsulfonylphenyl)-2-methoxyphenyl]piperidine
CID 58772228
1-[(1S,6S)-2-bicyclo[4.2.1]nonanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 70795090
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,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-ethyl-2-methoxyphenyl)piperidine
CID 70795098
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-phenylethynyl)phenyl]piperidine
CID 66970923
1-[3-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]propan-1-one
CID 58771961

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine?
The IUPAC name of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine (CID 58772181) is 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine.
What is the SMILES notation for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine?
The canonical SMILES for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine is COc1cccc(-c2ccc(OC)c(C3CCN([C@@H]4C[C@H]5CCC4C5)CC3)c2)c1.
What is the InChIKey of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine?
The InChIKey is YQUQBVMBEDQUCE-RNDFPHBYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-28-23-5-3-4-20(16-23)21-8-9-26(29-2)24(17-21)19-10-12-27(13-11-19)25-15-18-6-7-22(25)14-18/h3-5,8-9,16-19,22,25H,6-7,10-15H2,1-2H3/t18-,22?,25+/m0/s1.
What are the key properties of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine?
1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-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,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine is sourced from PubChem (CID 58772181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).