2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride

C19H30ClN3O — CID 120772241

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
SMILESCC1(CN)CCN(C(C(=O)N2CCCCC2)c2ccccc2)C1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-19(14-20)10-13-22(15-19)17(16-8-4-2-5-9-16)18(23)21-11-6-3-7-12-21;/h2,4-5,8-9,17H,3,6-7,10-15,20H2,1H3;1H
InChIKeyCTVSNVWCCRGHEX-UHFFFAOYSA-N
MW351.92 g/mol
LogP2.83
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 120772241) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
PubChem CID120772241
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
SMILESCC1(CN)CCN(C(C(=O)N2CCCCC2)c2ccccc2)C1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-19(14-20)10-13-22(15-19)17(16-8-4-2-5-9-16)18(23)21-11-6-3-7-12-21;/h2,4-5,8-9,17H,3,6-7,10-15,20H2,1H3;1H
InChIKeyCTVSNVWCCRGHEX-UHFFFAOYSA-N
XLogP2.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;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

2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120772793
2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 71845070
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(diethylamino)-2-phenylethanone;dihydrochloride
CID 120808886
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chlorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 120806362
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride
CID 120772553
(3aS,6aR)-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681342
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylacetamide;hydrochloride
CID 120773565
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzamide;hydrochloride
CID 120807240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride (CID 120772241) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride is CC1(CN)CCN(C(C(=O)N2CCCCC2)c2ccccc2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is CTVSNVWCCRGHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.ClH/c1-19(14-20)10-13-22(15-19)17(16-8-4-2-5-9-16)18(23)21-11-6-3-7-12-21;/h2,4-5,8-9,17H,3,6-7,10-15,20H2,1H3;1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 120772241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).