1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride

C20H31ClN2O — CID 119790946

IUPAC1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CC(c2ccccc2)CC1C)C1CCNCC1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-14-19(13-16(22)2)18-6-4-3-5-7-18;/h3-7,15-17,19,21H,8-14H2,1-2H3;1H
InChIKeyRUSUFKGVIVCDET-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.84
Rot. Bonds4

About 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride

1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride (PubChem CID 119790946) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
PubChem CID119790946
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CC(c2ccccc2)CC1C)C1CCNCC1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-14-19(13-16(22)2)18-6-4-3-5-7-18;/h3-7,15-17,19,21H,8-14H2,1-2H3;1H
InChIKeyRUSUFKGVIVCDET-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-2-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119769865
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119708943
1-[2-(1-phenylpropyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119757653
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119808014
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119790957
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119721910
1-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-3-piperidin-4-ylbutan-1-one
CID 119738115
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride (CID 119790946) is 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride is CC(CC(=O)N1CC(c2ccccc2)CC1C)C1CCNCC1.Cl.
What is the InChIKey of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The InChIKey is RUSUFKGVIVCDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-14-19(13-16(22)2)18-6-4-3-5-7-18;/h3-7,15-17,19,21H,8-14H2,1-2H3;1H.
What are the key properties of 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119790946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).