7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone

C19H25NO — CID 167913820

IUPAC7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone
SMILESO=C(C1CCC(c2ccccc2)CC1)N1C2CCC1CC2
InChIInChI=1S/C19H25NO/c21-19(20-17-10-11-18(20)13-12-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,15-18H,6-13H2
InChIKeyAJVGLRTYBSDROF-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.11
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone

7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone (PubChem CID 167913820) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone
PubChem CID167913820
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone
SMILESO=C(C1CCC(c2ccccc2)CC1)N1C2CCC1CC2
InChIInChI=1S/C19H25NO/c21-19(20-17-10-11-18(20)13-12-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,15-18H,6-13H2
InChIKeyAJVGLRTYBSDROF-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
sodium 4-phenylcyclohexane-1-carboxylate
CID 23689505
benzene;cyclopropylbenzene
CID 144638417
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119467931
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone (CID 167913820) is 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone is O=C(C1CCC(c2ccccc2)CC1)N1C2CCC1CC2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone?
The InChIKey is AJVGLRTYBSDROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-19(20-17-10-11-18(20)13-12-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,15-18H,6-13H2.
What are the key properties of 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone?
7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone has a molecular weight of 283.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone is sourced from PubChem (CID 167913820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).