(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride

C8H19Cl2N3O — CID 122361126

IUPAC(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-7(9)8(12)11-5-3-10(2)4-6-11;;/h7H,3-6,9H2,1-2H3;2*1H/t7-;;/m1../s1
InChIKeyWQWJCMWMJVOJAS-XCUBXKJBSA-N
MW244.17 g/mol
LogP-0.05
Rot. Bonds1

About (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride

(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 122361126) has the molecular formula C8H19Cl2N3O and a molecular weight of 244.17 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID122361126
Molecular FormulaC8H19Cl2N3O
Molecular Weight244.17 g/mol
Exact Mass243.09
IUPAC Name(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-7(9)8(12)11-5-3-10(2)4-6-11;;/h7H,3-6,9H2,1-2H3;2*1H/t7-;;/m1../s1
InChIKeyWQWJCMWMJVOJAS-XCUBXKJBSA-N
XLogP-0.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 59935068
(2S)-2-amino-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 28745495

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 122361126) is (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride is C[C@@H](N)C(=O)N1CCN(C)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is WQWJCMWMJVOJAS-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H17N3O.2ClH/c1-7(9)8(12)11-5-3-10(2)4-6-11;;/h7H,3-6,9H2,1-2H3;2*1H/t7-;;/m1../s1.
What are the key properties of (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride?
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 244.17 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 122361126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).