[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol

C24H30N2O — CID 46850464

IUPAC[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESOC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCC1
InChIInChI=1S/C24H30N2O/c27-17-21-20-16-26(15-18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)22(20)24(21)25-13-7-8-14-25/h1-6,9-12,20-24,27H,7-8,13-17H2/t20-,21+,22+,23-,24-/m0/s1
InChIKeyRSLYNHHGHMPLKL-JTKSJCOOSA-N
MW362.52 g/mol
LogP3.56
Rot. Bonds5

About [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol

[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (PubChem CID 46850464) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
PubChem CID46850464
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESOC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCC1
InChIInChI=1S/C24H30N2O/c27-17-21-20-16-26(15-18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)22(20)24(21)25-13-7-8-14-25/h1-6,9-12,20-24,27H,7-8,13-17H2/t20-,21+,22+,23-,24-/m0/s1
InChIKeyRSLYNHHGHMPLKL-JTKSJCOOSA-N
XLogP3.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol with MolForge

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Related Compounds

(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
CID 57351473
(2R,3S,6R)-5-benzyl-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56865189
(4aS,5R,8aS)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;(4aR,5S,8aR)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 161179572
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
[(1S,2R,5R,6R,7R)-3-benzyl-2-(4-bromophenyl)-7-(diethylamino)-3-azabicyclo[3.2.0]heptan-6-yl]methyl acetate
CID 71485429
(4-benzyl-6-methylmorpholin-3-yl)methanol
CID 131123485
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
CID 101349406
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The IUPAC name of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (CID 46850464) is [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.
What is the SMILES notation for [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The canonical SMILES for [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol is OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCC1.
What is the InChIKey of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The InChIKey is RSLYNHHGHMPLKL-JTKSJCOOSA-N. The full InChI is InChI=1S/C24H30N2O/c27-17-21-20-16-26(15-18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)22(20)24(21)25-13-7-8-14-25/h1-6,9-12,20-24,27H,7-8,13-17H2/t20-,21+,22+,23-,24-/m0/s1.
What are the key properties of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol has a molecular weight of 362.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol is sourced from PubChem (CID 46850464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).