(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

C16H23ClN2O — CID 119703069

IUPAC(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O.ClH/c19-16(15-6-9-17-12-15)18-10-7-14(8-11-18)13-4-2-1-3-5-13;/h1-5,14-15,17H,6-12H2;1H
InChIKeyWBCCIRUBIJZQMT-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.42
Rot. Bonds2

About (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride

(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119703069) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119703069
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O.ClH/c19-16(15-6-9-17-12-15)18-10-7-14(8-11-18)13-4-2-1-3-5-13;/h1-5,14-15,17H,6-12H2;1H
InChIKeyWBCCIRUBIJZQMT-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119316139
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119777889
(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 63005682
2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
CID 67794190
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride (CID 119703069) is (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCNC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is WBCCIRUBIJZQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c19-16(15-6-9-17-12-15)18-10-7-14(8-11-18)13-4-2-1-3-5-13;/h1-5,14-15,17H,6-12H2;1H.
What are the key properties of (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119703069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).