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

C13H20Cl2FN3O — CID 119827512

IUPAC(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H18FN3O.2ClH/c1-10(15)13(18)17-8-6-16(7-9-17)12-4-2-11(14)3-5-12;;/h2-5,10H,6-9,15H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyRXDHHCUIGCNLPY-YQFADDPSSA-N
MW324.23 g/mol
LogP1.67
Rot. Bonds2

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

(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119827512) has the molecular formula C13H20Cl2FN3O and a molecular weight of 324.23 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119827512
Molecular FormulaC13H20Cl2FN3O
Molecular Weight324.23 g/mol
Exact Mass323.10
IUPAC Name(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H18FN3O.2ClH/c1-10(15)13(18)17-8-6-16(7-9-17)12-4-2-11(14)3-5-12;;/h2-5,10H,6-9,15H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyRXDHHCUIGCNLPY-YQFADDPSSA-N
XLogP1.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
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2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
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(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
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(2S)-2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
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1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
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1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119827512) is (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride is C[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is RXDHHCUIGCNLPY-YQFADDPSSA-N. The full InChI is InChI=1S/C13H18FN3O.2ClH/c1-10(15)13(18)17-8-6-16(7-9-17)12-4-2-11(14)3-5-12;;/h2-5,10H,6-9,15H2,1H3;2*1H/t10-;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 324.23 g/mol, XLogP of 1.67, 2 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-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119827512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).