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

C8H18ClN3O — CID 156637210

IUPAC(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C)CC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-7(9)8(12)11-5-3-10(2)4-6-11;/h7H,3-6,9H2,1-2H3;1H/t7-;/m1./s1
InChIKeyVRNCOJRTSKSYCV-OGFXRTJISA-N
MW207.71 g/mol
LogP-0.47
Rot. Bonds1

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

(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 156637210) has the molecular formula C8H18ClN3O and a molecular weight of 207.71 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID156637210
Molecular FormulaC8H18ClN3O
Molecular Weight207.71 g/mol
Exact Mass207.11
IUPAC Name(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(C)CC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-7(9)8(12)11-5-3-10(2)4-6-11;/h7H,3-6,9H2,1-2H3;1H/t7-;/m1./s1
InChIKeyVRNCOJRTSKSYCV-OGFXRTJISA-N
XLogP-0.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.71
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
(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;hydrochloride?
The IUPAC name of (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 156637210) is (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCN(C)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is VRNCOJRTSKSYCV-OGFXRTJISA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-7(9)8(12)11-5-3-10(2)4-6-11;/h7H,3-6,9H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride?
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 207.71 g/mol, XLogP of -0.47, 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;hydrochloride is sourced from PubChem (CID 156637210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).