(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride

C18H27ClN2O — CID 119999698

IUPAC(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-14-5-7-16(8-6-14)18(21)20-12-9-15(10-13-20)17-4-3-11-19-17;/h5-8,15,17,19H,2-4,9-13H2,1H3;1H
InChIKeyCNRBXGYQHJLYLK-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.28
Rot. Bonds3

About (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride

(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119999698) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119999698
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-14-5-7-16(8-6-14)18(21)20-12-9-15(10-13-20)17-4-3-11-19-17;/h5-8,15,17,19H,2-4,9-13H2,1H3;1H
InChIKeyCNRBXGYQHJLYLK-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-ethylphenyl)methanone
CID 74881662
(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(3-fluoro-4-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999600
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride (CID 119999698) is (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride is CCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1.Cl.
What is the InChIKey of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is CNRBXGYQHJLYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-2-14-5-7-16(8-6-14)18(21)20-12-9-15(10-13-20)17-4-3-11-19-17;/h5-8,15,17,19H,2-4,9-13H2,1H3;1H.
What are the key properties of (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119999698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).