3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride

C8H18ClN3O — CID 130616004

IUPAC3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H]1CN(C(=O)CCN)CCN1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-7-6-11(5-4-10-7)8(12)2-3-9;/h7,10H,2-6,9H2,1H3;1H/t7-;/m1./s1
InChIKeyJFMCNVXSKFVWSV-OGFXRTJISA-N
MW207.70 g/mol
LogP-0.42
Rot. Bonds2

About 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride

3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 130616004) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
PubChem CID130616004
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Name3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H]1CN(C(=O)CCN)CCN1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-7-6-11(5-4-10-7)8(12)2-3-9;/h7,10H,2-6,9H2,1H3;1H/t7-;/m1./s1
InChIKeyJFMCNVXSKFVWSV-OGFXRTJISA-N
XLogP-0.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
1-[(3S)-3-methylpiperazin-1-yl]but-3-en-1-one
CID 104976240
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
CID 119579732
4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 119577234

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride (CID 130616004) is 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride is C[C@@H]1CN(C(=O)CCN)CCN1.Cl.
What is the InChIKey of 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is JFMCNVXSKFVWSV-OGFXRTJISA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-7-6-11(5-4-10-7)8(12)2-3-9;/h7,10H,2-6,9H2,1H3;1H/t7-;/m1./s1.
What are the key properties of 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride?
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 130616004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).