(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride

C18H27ClN2O — CID 119316139

IUPAC(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(17-8-4-11-19-14-17)20-12-5-9-16(10-13-20)15-6-2-1-3-7-15;/h1-3,6-7,16-17,19H,4-5,8-14H2;1H
InChIKeyXXLUSQMPGHVNEF-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.20
Rot. Bonds2

About (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride

(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride (PubChem CID 119316139) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
PubChem CID119316139
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(17-8-4-11-19-14-17)20-12-5-9-16(10-13-20)15-6-2-1-3-7-15;/h1-3,6-7,16-17,19H,4-5,8-14H2;1H
InChIKeyXXLUSQMPGHVNEF-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-3-ylmethanone
CID 119302951
benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
CID 142544964

Frequently Asked Questions

What is the IUPAC name of (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride (CID 119316139) is (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCCNC1)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is XXLUSQMPGHVNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c21-18(17-8-4-11-19-14-17)20-12-5-9-16(10-13-20)15-6-2-1-3-7-15;/h1-3,6-7,16-17,19H,4-5,8-14H2;1H.
What are the key properties of (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride?
(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119316139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).