(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C19H31Cl2N3O — CID 119398857

IUPAC(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)C2CCCN2Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-20-13-17-9-5-12-22(15-17)19(23)18-10-6-11-21(18)14-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H
InChIKeyQUMKYXBHDHIGLI-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.95
Rot. Bonds5

About (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119398857) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119398857
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC Name(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)C2CCCN2Cc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-20-13-17-9-5-12-22(15-17)19(23)18-10-6-11-21(18)14-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H
InChIKeyQUMKYXBHDHIGLI-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612785
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398721
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820
N-[(3S)-1-[(2S)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027818
(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395506
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119398857) is (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CNCC1CCCN(C(=O)C2CCCN2Cc2ccccc2)C1.Cl.Cl.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is QUMKYXBHDHIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-20-13-17-9-5-12-22(15-17)19(23)18-10-6-11-21(18)14-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H.
What are the key properties of (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119398857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).