4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol

C19H21NO — CID 67794050

IUPAC4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol
SMILESOC1C2CC2CNC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-19-16-11-15(16)12-20-18(19)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-21H,11-12H2
InChIKeyDQKJIOWCDBNSDR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.79
Rot. Bonds3

About 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol

4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol (PubChem CID 67794050) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol.

Molecular Properties

Compound Name4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol
PubChem CID67794050
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol
SMILESOC1C2CC2CNC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-19-16-11-15(16)12-20-18(19)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-21H,11-12H2
InChIKeyDQKJIOWCDBNSDR-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzhydryl-N-[(2-methylthiophen-3-yl)methyl]-3-azabicyclo[4.1.0]heptan-5-amine
CID 70201126
2-benzhydryl-3,5-dichloropiperazine
CID 154433424
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-methyl-1-phenylbutan-1-ol
CID 102894020
1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol
CID 171035054
2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol
CID 82598844
azane;aziridin-2-ol;1-phenoxyethanol
CID 20544565
1-phenylethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61279063
2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol
CID 19974908
cumene;hydroxy hypofluorite
CID 175445754
2-benzhydrylpiperidin-3-ol;butanedioate
CID 21128015
(1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane
CID 67787812
1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride
CID 142257992

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol?
The IUPAC name of 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol (CID 67794050) is 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol.
What is the SMILES notation for 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol?
The canonical SMILES for 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol is OC1C2CC2CNC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol?
The InChIKey is DQKJIOWCDBNSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19-16-11-15(16)12-20-18(19)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-21H,11-12H2.
What are the key properties of 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol?
4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol has a molecular weight of 279.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-3-azabicyclo[4.1.0]heptan-5-ol is sourced from PubChem (CID 67794050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).