(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

C42H58N2O2 — CID 160785140

IUPAC(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESO[C@@](CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2.O[C@](CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/2C21H29NO/c2*23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h2*1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t2*17?,18?,20?,21-/m10/s1
InChIKeySBCIBGZQRWUZGD-HRIWFVNOSA-N
MW622.94 g/mol
LogP7.92
Rot. Bonds10

About (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 160785140) has the molecular formula C42H58N2O2 and a molecular weight of 622.94 g/mol. Its IUPAC name is (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
PubChem CID160785140
Molecular FormulaC42H58N2O2
Molecular Weight622.94 g/mol
Exact Mass622.45
IUPAC Name(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESO[C@@](CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2.O[C@](CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/2C21H29NO/c2*23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h2*1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t2*17?,18?,20?,21-/m10/s1
InChIKeySBCIBGZQRWUZGD-HRIWFVNOSA-N
XLogP7.92
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.94
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 45266847
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-phenyl-3-piperidin-1-ylpropyl] (2S)-2-hydroxypropanoate
CID 125154595
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 163322578
1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
CID 70385276
2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride
CID 90485815
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol
CID 134827932
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol (CID 160785140) is (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol is O[C@@](CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2.O[C@](CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2.
What is the InChIKey of (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is SBCIBGZQRWUZGD-HRIWFVNOSA-N. The full InChI is InChI=1S/2C21H29NO/c2*23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h2*1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/t2*17?,18?,20?,21-/m10/s1.
What are the key properties of (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 622.94 g/mol, XLogP of 7.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 160785140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).