[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C20H23NO2 — CID 138387325

IUPAC[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1(CO)C2CN(Cc3ccc(-c4ccccc4)cc3)CC21
InChIInChI=1S/C20H23NO2/c22-13-20(14-23)18-11-21(12-19(18)20)10-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-19,22-23H,10-14H2
InChIKeyLGQUDAGERSROPL-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.39
Rot. Bonds5

About [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 138387325) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID138387325
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1(CO)C2CN(Cc3ccc(-c4ccccc4)cc3)CC21
InChIInChI=1S/C20H23NO2/c22-13-20(14-23)18-11-21(12-19(18)20)10-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-19,22-23H,10-14H2
InChIKeyLGQUDAGERSROPL-UHFFFAOYSA-N
XLogP2.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-(4-phenylphenyl)ethanone
CID 137341574
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
CID 67508584
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
3',7'-dibenzylspiro[1,3-benzodioxole-2,9'-3,7-diazabicyclo[3.3.1]nonane]
CID 140589678
1-[[4-(3-chlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 46872742
2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
CID 12852784
1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 164771735
[1-[(4-phenylphenyl)methyl]cyclopropyl]methanol
CID 116928854

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 138387325) is [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1(CO)C2CN(Cc3ccc(-c4ccccc4)cc3)CC21.
What is the InChIKey of [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is LGQUDAGERSROPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-13-20(14-23)18-11-21(12-19(18)20)10-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-19,22-23H,10-14H2.
What are the key properties of [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 309.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 138387325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).