1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride

C15H23Cl2FN2 — CID 171169098

IUPAC1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
SMILESCC(C)C[C@H](c1cc(Cl)ccc1F)N1CCNCC1.Cl
InChIInChI=1S/C15H22ClFN2.ClH/c1-11(2)9-15(19-7-5-18-6-8-19)13-10-12(16)3-4-14(13)17;/h3-4,10-11,15,18H,5-9H2,1-2H3;1H/t15-;/m1./s1
InChIKeyCMUASXDSKOQCAO-XFULWGLBSA-N
MW321.27 g/mol
LogP3.89
Rot. Bonds4

About 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride

1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride (PubChem CID 171169098) has the molecular formula C15H23Cl2FN2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
PubChem CID171169098
Molecular FormulaC15H23Cl2FN2
Molecular Weight321.27 g/mol
Exact Mass320.12
IUPAC Name1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
SMILESCC(C)C[C@H](c1cc(Cl)ccc1F)N1CCNCC1.Cl
InChIInChI=1S/C15H22ClFN2.ClH/c1-11(2)9-15(19-7-5-18-6-8-19)13-10-12(16)3-4-14(13)17;/h3-4,10-11,15,18H,5-9H2,1-2H3;1H/t15-;/m1./s1
InChIKeyCMUASXDSKOQCAO-XFULWGLBSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275949
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594
1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
CID 171167786
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014
1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015
1-[(1S)-1-(4-chloro-2-methylphenyl)-3-methylbutyl]piperazine
CID 171281403
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171166241
1-[(1S)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163680
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171171568
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride (CID 171169098) is 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride is CC(C)C[C@H](c1cc(Cl)ccc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
The InChIKey is CMUASXDSKOQCAO-XFULWGLBSA-N. The full InChI is InChI=1S/C15H22ClFN2.ClH/c1-11(2)9-15(19-7-5-18-6-8-19)13-10-12(16)3-4-14(13)17;/h3-4,10-11,15,18H,5-9H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride has a molecular weight of 321.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride is sourced from PubChem (CID 171169098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).