(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride

C16H33Cl2N3O — CID 69143472

IUPAC(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(C)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-12(2)15(17)16(20)19-10-6-14(7-11-19)13-4-8-18(3)9-5-13;;/h12-15H,4-11,17H2,1-3H3;2*1H/t15-;;/m1../s1
InChIKeyQYSZXNQZMUHGAD-QCUBGVIVSA-N
MW354.37 g/mol
LogP2.39
Rot. Bonds3

About (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride

(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 69143472) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
PubChem CID69143472
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC Name(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(C)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-12(2)15(17)16(20)19-10-6-14(7-11-19)13-4-8-18(3)9-5-13;;/h12-15H,4-11,17H2,1-3H3;2*1H/t15-;;/m1../s1
InChIKeyQYSZXNQZMUHGAD-QCUBGVIVSA-N
XLogP2.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride (CID 69143472) is (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride is CC(C)[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is QYSZXNQZMUHGAD-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-12(2)15(17)16(20)19-10-6-14(7-11-19)13-4-8-18(3)9-5-13;;/h12-15H,4-11,17H2,1-3H3;2*1H/t15-;;/m1../s1.
What are the key properties of (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride?
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 69143472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).