2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride

C13H29Cl2N3O — CID 119561287

IUPAC2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCNC1CCN(C(=O)C(C(C)C)N(C)C)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-10(2)12(15(4)5)13(17)16-8-6-11(14-3)7-9-16;;/h10-12,14H,6-9H2,1-5H3;2*1H
InChIKeyMOTVNFNERHLJEF-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.63
Rot. Bonds4

About 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride

2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119561287) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride
PubChem CID119561287
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCNC1CCN(C(=O)C(C(C)C)N(C)C)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-10(2)12(15(4)5)13(17)16-8-6-11(14-3)7-9-16;;/h10-12,14H,6-9H2,1-5H3;2*1H
InChIKeyMOTVNFNERHLJEF-UHFFFAOYSA-N
XLogP1.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119423303
tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
CID 95155324
(2R)-2-(dimethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 71000045
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
1-(1,4-diazepan-1-yl)-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119415773
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119562178
(2S)-2-(dimethylamino)-3-methyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120833549
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
4-(methylamino)piperidine-1-carboxamide
CID 43754889
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
4-tert-butyl-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119563820

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride (CID 119561287) is 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride is CNC1CCN(C(=O)C(C(C)C)N(C)C)CC1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is MOTVNFNERHLJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-10(2)12(15(4)5)13(17)16-8-6-11(14-3)7-9-16;;/h10-12,14H,6-9H2,1-5H3;2*1H.
What are the key properties of 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride?
2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119561287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).