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

C18H37Cl2N3O — CID 119851832

IUPAC(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCCCCN(C)CC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O.2ClH/c1-3-4-10-20(2)14-15-8-11-21(12-9-15)18(22)16-6-5-7-17(19)13-16;;/h15-17H,3-14,19H2,1-2H3;2*1H
InChIKeyNDPGCRUHDWOYRT-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.32
Rot. Bonds6

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

(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119851832) has the molecular formula C18H37Cl2N3O and a molecular weight of 382.42 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
PubChem CID119851832
Molecular FormulaC18H37Cl2N3O
Molecular Weight382.42 g/mol
Exact Mass381.23
IUPAC Name(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
SMILESCCCCN(C)CC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O.2ClH/c1-3-4-10-20(2)14-15-8-11-21(12-9-15)18(22)16-6-5-7-17(19)13-16;;/h15-17H,3-14,19H2,1-2H3;2*1H
InChIKeyNDPGCRUHDWOYRT-UHFFFAOYSA-N
XLogP3.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875229
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
CID 102778861
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732732
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
CID 61244693
(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119766741

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride (CID 119851832) is (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride is CCCCN(C)CC1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is NDPGCRUHDWOYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.2ClH/c1-3-4-10-20(2)14-15-8-11-21(12-9-15)18(22)16-6-5-7-17(19)13-16;;/h15-17H,3-14,19H2,1-2H3;2*1H.
What are the key properties of (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride?
(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 382.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119851832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).