2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride

C16H32ClN3O — CID 120776079

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCN(C(=O)C(C)N2CCC(N)C(C)(C)C2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-5-8-18(9-6-12)15(20)13(2)19-10-7-14(17)16(3,4)11-19;/h12-14H,5-11,17H2,1-4H3;1H
InChIKeyZAKYQTQIACOMDW-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.11
Rot. Bonds2

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120776079) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID120776079
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCN(C(=O)C(C)N2CCC(N)C(C)(C)C2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-5-8-18(9-6-12)15(20)13(2)19-10-7-14(17)16(3,4)11-19;/h12-14H,5-11,17H2,1-4H3;1H
InChIKeyZAKYQTQIACOMDW-UHFFFAOYSA-N
XLogP2.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 82042068
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
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2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 102558215
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
CID 120775307
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120818010
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120819908
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride
CID 120775148
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride (CID 120776079) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride is CC1CCN(C(=O)C(C)N2CCC(N)C(C)(C)C2)CC1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is ZAKYQTQIACOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-12-5-8-18(9-6-12)15(20)13(2)19-10-7-14(17)16(3,4)11-19;/h12-14H,5-11,17H2,1-4H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120776079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).