1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride

C15H24Cl4N2 — CID 171287565

IUPAC1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Cl2N2.2ClH/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-13(16)14(17)10-12;;/h3-4,10-11,15,18H,5-9H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyLIAYONIIQAUAPR-QCUBGVIVSA-N
MW374.18 g/mol
LogP4.83
Rot. Bonds4

About 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride (PubChem CID 171287565) has the molecular formula C15H24Cl4N2 and a molecular weight of 374.18 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
PubChem CID171287565
Molecular FormulaC15H24Cl4N2
Molecular Weight374.18 g/mol
Exact Mass372.07
IUPAC Name1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Cl2N2.2ClH/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-13(16)14(17)10-12;;/h3-4,10-11,15,18H,5-9H2,1-2H3;2*1H/t15-;;/m1../s1
InChIKeyLIAYONIIQAUAPR-QCUBGVIVSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-chloro-3-methoxyphenyl)-3-methylbutyl]piperazine
CID 171281094
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171171119
(3S)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189504
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine
CID 171165767
1-[(1S)-1-(3,4-dimethylphenyl)-3-methylbutyl]piperazine
CID 95467094
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587
1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275949
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1R)-1-(2-bromo-4-pyridinyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289092
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride (CID 171287565) is 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride is CC(C)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The InChIKey is LIAYONIIQAUAPR-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H22Cl2N2.2ClH/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-13(16)14(17)10-12;;/h3-4,10-11,15,18H,5-9H2,1-2H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride has a molecular weight of 374.18 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).