(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride

C13H21Cl2N3O2 — CID 119826928

IUPAC(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-10(14)13(18)16-8-6-15(7-9-16)11-2-4-12(17)5-3-11;;/h2-5,10,17H,6-9,14H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyCEVRXJBUQCYPAR-YQFADDPSSA-N
MW322.24 g/mol
LogP1.23
Rot. Bonds2

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

(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119826928) has the molecular formula C13H21Cl2N3O2 and a molecular weight of 322.24 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119826928
Molecular FormulaC13H21Cl2N3O2
Molecular Weight322.24 g/mol
Exact Mass321.10
IUPAC Name(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-10(14)13(18)16-8-6-15(7-9-16)11-2-4-12(17)5-3-11;;/h2-5,10,17H,6-9,14H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyCEVRXJBUQCYPAR-YQFADDPSSA-N
XLogP1.23
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 75513891
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104907576
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119826928) is (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride is C[C@@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is CEVRXJBUQCYPAR-YQFADDPSSA-N. The full InChI is InChI=1S/C13H19N3O2.2ClH/c1-10(14)13(18)16-8-6-15(7-9-16)11-2-4-12(17)5-3-11;;/h2-5,10,17H,6-9,14H2,1H3;2*1H/t10-;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119826928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).