(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride

C21H35Cl2N3O — CID 119875229

IUPAC(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCN(Cc1ccccc1)CC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-23(15-17-6-3-2-4-7-17)16-18-10-12-24(13-11-18)21(25)19-8-5-9-20(22)14-19;;/h2-4,6-7,18-20H,5,8-16,22H2,1H3;2*1H
InChIKeyBWBDMDXWIBWJNV-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.72
Rot. Bonds5

About (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride

(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119875229) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
PubChem CID119875229
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC Name(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCN(Cc1ccccc1)CC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-23(15-17-6-3-2-4-7-17)16-18-10-12-24(13-11-18)21(25)19-8-5-9-20(22)14-19;;/h2-4,6-7,18-20H,5,8-16,22H2,1H3;2*1H
InChIKeyBWBDMDXWIBWJNV-UHFFFAOYSA-N
XLogP3.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119851832
(3-aminocyclohexyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119896962
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053
(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95174347
(2-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 119947007
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]butan-1-one
CID 119875253
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
(3-aminocyclohexyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 91660417
(3-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875254

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride (CID 119875229) is (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride is CN(Cc1ccccc1)CC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is BWBDMDXWIBWJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-23(15-17-6-3-2-4-7-17)16-18-10-12-24(13-11-18)21(25)19-8-5-9-20(22)14-19;;/h2-4,6-7,18-20H,5,8-16,22H2,1H3;2*1H.
What are the key properties of (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119875229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).