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

C13H18Cl2FN3O — CID 120873636

IUPAC(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1.Cl
InChIInChI=1S/C13H17ClFN3O.ClH/c1-9(16)13(19)18-6-4-17(5-7-18)12-3-2-10(15)8-11(12)14;/h2-3,8-9H,4-7,16H2,1H3;1H/t9-;/m1./s1
InChIKeyQUHBHFDBTGRWDY-SBSPUUFOSA-N
MW322.21 g/mol
LogP1.90
Rot. Bonds2

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

(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 120873636) has the molecular formula C13H18Cl2FN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID120873636
Molecular FormulaC13H18Cl2FN3O
Molecular Weight322.21 g/mol
Exact Mass321.08
IUPAC Name(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1.Cl
InChIInChI=1S/C13H17ClFN3O.ClH/c1-9(16)13(19)18-6-4-17(5-7-18)12-3-2-10(15)8-11(12)14;/h2-3,8-9H,4-7,16H2,1H3;1H/t9-;/m1./s1
InChIKeyQUHBHFDBTGRWDY-SBSPUUFOSA-N
XLogP1.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-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-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
(2S)-2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]propan-1-one
CID 119307814
(2R)-2-amino-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119853350
(2S)-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-one
CID 99783997
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
methyl (2R)-2-[4-(2-chloro-4-fluorophenyl)piperazine-1-carbonyl]butanoate
CID 124732237
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504044
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 120873636) is (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is QUHBHFDBTGRWDY-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H17ClFN3O.ClH/c1-9(16)13(19)18-6-4-17(5-7-18)12-3-2-10(15)8-11(12)14;/h2-3,8-9H,4-7,16H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 322.21 g/mol, XLogP of 1.90, 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-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120873636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).