4-(4-cyclohexylphenyl)azepane

C18H27N — CID 82300190

IUPAC4-(4-cyclohexylphenyl)azepane
SMILESc1cc(C2CCCNCC2)ccc1C1CCCCC1
InChIInChI=1S/C18H27N/c1-2-5-15(6-3-1)17-8-10-18(11-9-17)16-7-4-13-19-14-12-16/h8-11,15-16,19H,1-7,12-14H2
InChIKeyIAIDDBIRPHJBBO-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.59
Rot. Bonds2

About 4-(4-cyclohexylphenyl)azepane

4-(4-cyclohexylphenyl)azepane (PubChem CID 82300190) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)azepane.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)azepane
PubChem CID82300190
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name4-(4-cyclohexylphenyl)azepane
SMILESc1cc(C2CCCNCC2)ccc1C1CCCCC1
InChIInChI=1S/C18H27N/c1-2-5-15(6-3-1)17-8-10-18(11-9-17)16-7-4-13-19-14-12-16/h8-11,15-16,19H,1-7,12-14H2
InChIKeyIAIDDBIRPHJBBO-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenylazocane
CID 19847318
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149
4-(4-isocyanophenyl)azepane
CID 123904335
potassium 4-piperidin-4-ylphenolate
CID 143791971
3-(4-cyclohexylphenyl)azetidine;hydrochloride
CID 154791480
4-(furan-3-yl)azepane
CID 83262129
ethane;4-(4-methylphenyl)piperidine
CID 145467036
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156
4-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 80503800
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepane
CID 80503780

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)azepane?
The IUPAC name of 4-(4-cyclohexylphenyl)azepane (CID 82300190) is 4-(4-cyclohexylphenyl)azepane.
What is the SMILES notation for 4-(4-cyclohexylphenyl)azepane?
The canonical SMILES for 4-(4-cyclohexylphenyl)azepane is c1cc(C2CCCNCC2)ccc1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexylphenyl)azepane?
The InChIKey is IAIDDBIRPHJBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-5-15(6-3-1)17-8-10-18(11-9-17)16-7-4-13-19-14-12-16/h8-11,15-16,19H,1-7,12-14H2.
What are the key properties of 4-(4-cyclohexylphenyl)azepane?
4-(4-cyclohexylphenyl)azepane has a molecular weight of 257.42 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)azepane is sourced from PubChem (CID 82300190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).