1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride

C20H31ClN2O — CID 119721910

IUPAC1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCc1cccc(C2CCCN2C(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-15-5-3-6-18(13-15)19-7-4-12-22(19)20(23)14-16(2)17-8-10-21-11-9-17;/h3,5-6,13,16-17,19,21H,4,7-12,14H2,1-2H3;1H
InChIKeyDFDAZVMCJIJJOW-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride

1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride (PubChem CID 119721910) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
PubChem CID119721910
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCc1cccc(C2CCCN2C(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-15-5-3-6-18(13-15)19-7-4-12-22(19)20(23)14-16(2)17-8-10-21-11-9-17;/h3,5-6,13,16-17,19,21H,4,7-12,14H2,1-2H3;1H
InChIKeyDFDAZVMCJIJJOW-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride with MolForge

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Related Compounds

1-[2-(4-methoxyphenyl)azepan-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119695966
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119708943
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
4-amino-3-methoxy-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 120592694
1-(2,3-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119764071
2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166775775
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119808014
3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119767317
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride (CID 119721910) is 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride is Cc1cccc(C2CCCN2C(=O)CC(C)C2CCNCC2)c1.Cl.
What is the InChIKey of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
The InChIKey is DFDAZVMCJIJJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-15-5-3-6-18(13-15)19-7-4-12-22(19)20(23)14-16(2)17-8-10-21-11-9-17;/h3,5-6,13,16-17,19,21H,4,7-12,14H2,1-2H3;1H.
What are the key properties of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119721910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).