1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride

C15H25Cl3N2 — CID 171286241

IUPAC1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2.2ClH/c1-12(2)10-15(18-8-6-17-7-9-18)13-4-3-5-14(16)11-13;;/h3-5,11-12,15,17H,6-10H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyAXVPNUATIUXWJY-QCUBGVIVSA-N
MW339.74 g/mol
LogP4.18
Rot. Bonds4

About 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride (PubChem CID 171286241) has the molecular formula C15H25Cl3N2 and a molecular weight of 339.74 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
PubChem CID171286241
Molecular FormulaC15H25Cl3N2
Molecular Weight339.74 g/mol
Exact Mass338.11
IUPAC Name1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2.2ClH/c1-12(2)10-15(18-8-6-17-7-9-18)13-4-3-5-14(16)11-13;;/h3-5,11-12,15,17H,6-10H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyAXVPNUATIUXWJY-QCUBGVIVSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287565
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275949
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171169098
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171167566
1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171163329

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride (CID 171286241) is 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride is CC(C)C[C@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The InChIKey is AXVPNUATIUXWJY-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H23ClN2.2ClH/c1-12(2)10-15(18-8-6-17-7-9-18)13-4-3-5-14(16)11-13;;/h3-5,11-12,15,17H,6-10H2,1-2H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride has a molecular weight of 339.74 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).