4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol

C15H19NO — CID 15192581

IUPAC4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol
SMILESCC1(O)CCN2CC=C(c3ccccc3)C1C2
InChIInChI=1S/C15H19NO/c1-15(17)8-10-16-9-7-13(14(15)11-16)12-5-3-2-4-6-12/h2-7,14,17H,8-11H2,1H3
InChIKeyZCWFNJKYXKFGQG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds1

About 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol

4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol (PubChem CID 15192581) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol.

Molecular Properties

Compound Name4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol
PubChem CID15192581
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol
SMILESCC1(O)CCN2CC=C(c3ccccc3)C1C2
InChIInChI=1S/C15H19NO/c1-15(17)8-10-16-9-7-13(14(15)11-16)12-5-3-2-4-6-12/h2-7,14,17H,8-11H2,1H3
InChIKeyZCWFNJKYXKFGQG-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol
CID 10375561
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol
CID 3021101
(1S,5R)-5-methyl-2-phenylbicyclo[3.2.0]hept-2-ene
CID 101134154
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
CID 57060479
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
3,4-diphenyl-1-azabicyclo[2.2.2]octane;hydrochloride
CID 3055749
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol
CID 56751913
(4-hydroperoxycyclobuten-1-yl)benzene
CID 71399609
(4-methylcyclobuten-1-yl)benzene
CID 173414108

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol?
The IUPAC name of 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol (CID 15192581) is 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol.
What is the SMILES notation for 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol?
The canonical SMILES for 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol is CC1(O)CCN2CC=C(c3ccccc3)C1C2.
What is the InChIKey of 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol?
The InChIKey is ZCWFNJKYXKFGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(17)8-10-16-9-7-13(14(15)11-16)12-5-3-2-4-6-12/h2-7,14,17H,8-11H2,1H3.
What are the key properties of 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol?
4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol has a molecular weight of 229.32 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol is sourced from PubChem (CID 15192581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).