phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride

C18H27ClN2O — CID 52984889

IUPACphenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(16-8-2-1-3-9-16)20-14-5-4-10-17(20)11-15-19-12-6-7-13-19;/h1-3,8-9,17H,4-7,10-15H2;1H
InChIKeyYWTZOXCMQUOYNS-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.59
Rot. Bonds4

About phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride

phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 52984889) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namephenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID52984889
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Namephenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C18H26N2O.ClH/c21-18(16-8-2-1-3-9-16)20-14-5-4-10-17(20)11-15-19-12-6-7-13-19;/h1-3,8-9,17H,4-7,10-15H2;1H
InChIKeyYWTZOXCMQUOYNS-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 17011291
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride (CID 52984889) is phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccccc1)N1CCCCC1CCN1CCCC1.
What is the InChIKey of phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is YWTZOXCMQUOYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c21-18(16-8-2-1-3-9-16)20-14-5-4-10-17(20)11-15-19-12-6-7-13-19;/h1-3,8-9,17H,4-7,10-15H2;1H.
What are the key properties of phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride?
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 52984889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).