1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine

C20H29NO2 — CID 58772326

IUPAC1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
SMILESCOc1ccc(OC)c(C2CCN(C3C[C@H]4CC[C@H]3C4)CC2)c1
InChIInChI=1S/C20H29NO2/c1-22-17-5-6-20(23-2)18(13-17)15-7-9-21(10-8-15)19-12-14-3-4-16(19)11-14/h5-6,13-16,19H,3-4,7-12H2,1-2H3/t14-,16-,19?/m0/s1
InChIKeyFVAYUKMPSMPAMQ-QAQDEBIESA-N
MW315.46 g/mol
LogP4.07
Rot. Bonds4

About 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine

1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine (PubChem CID 58772326) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
PubChem CID58772326
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
SMILESCOc1ccc(OC)c(C2CCN(C3C[C@H]4CC[C@H]3C4)CC2)c1
InChIInChI=1S/C20H29NO2/c1-22-17-5-6-20(23-2)18(13-17)15-7-9-21(10-8-15)19-12-14-3-4-16(19)11-14/h5-6,13-16,19H,3-4,7-12H2,1-2H3/t14-,16-,19?/m0/s1
InChIKeyFVAYUKMPSMPAMQ-QAQDEBIESA-N
XLogP4.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,6S)-2-bicyclo[4.2.1]nonanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 70795090
1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine
CID 58772181
1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine
CID 11703842
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
4-[3-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]aniline
CID 88979595
1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methylphenyl)phenyl]piperidine
CID 58772199
1-[3-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]-2-methylpropan-1-one
CID 66970812
1-[3-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]propan-1-one
CID 58771961
N-[4-[3-[1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]phenyl]acetamide
CID 58772355
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine?
The IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine (CID 58772326) is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine.
What is the SMILES notation for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine?
The canonical SMILES for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine is COc1ccc(OC)c(C2CCN(C3C[C@H]4CC[C@H]3C4)CC2)c1.
What is the InChIKey of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine?
The InChIKey is FVAYUKMPSMPAMQ-QAQDEBIESA-N. The full InChI is InChI=1S/C20H29NO2/c1-22-17-5-6-20(23-2)18(13-17)15-7-9-21(10-8-15)19-12-14-3-4-16(19)11-14/h5-6,13-16,19H,3-4,7-12H2,1-2H3/t14-,16-,19?/m0/s1.
What are the key properties of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine?
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine has a molecular weight of 315.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine is sourced from PubChem (CID 58772326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).