(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride

C11H25Cl2N3O — CID 119831591

IUPAC(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)CN1CCN(C(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-9(2)8-13-4-6-14(7-5-13)11(15)10(3)12;;/h9-10H,4-8,12H2,1-3H3;2*1H/t10-;;/m0../s1
InChIKeyFOVVDIUTPMOEPQ-XRIOVQLTSA-N
MW286.25 g/mol
LogP0.98
Rot. Bonds3

About (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride

(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119831591) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119831591
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)CN1CCN(C(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-9(2)8-13-4-6-14(7-5-13)11(15)10(3)12;;/h9-10H,4-8,12H2,1-3H3;2*1H/t10-;;/m0../s1
InChIKeyFOVVDIUTPMOEPQ-XRIOVQLTSA-N
XLogP0.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 59935068
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
2-amino-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one
CID 83635043
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119831591) is (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride is CC(C)CN1CCN(C(=O)[C@H](C)N)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is FOVVDIUTPMOEPQ-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-9(2)8-13-4-6-14(7-5-13)11(15)10(3)12;;/h9-10H,4-8,12H2,1-3H3;2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119831591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).