1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride

C15H24Cl4N2 — CID 171275949

IUPAC1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@@H](c1cc(Cl)ccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Cl2N2.2ClH/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;2*1H/t15-;;/m0../s1
InChIKeyRJLRAEUIALZLFK-CKUXDGONSA-N
MW374.18 g/mol
LogP4.83
Rot. Bonds4

About 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride

1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride (PubChem CID 171275949) has the molecular formula C15H24Cl4N2 and a molecular weight of 374.18 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
PubChem CID171275949
Molecular FormulaC15H24Cl4N2
Molecular Weight374.18 g/mol
Exact Mass372.07
IUPAC Name1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
SMILESCC(C)C[C@@H](c1cc(Cl)ccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22Cl2N2.2ClH/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;2*1H/t15-;;/m0../s1
InChIKeyRJLRAEUIALZLFK-CKUXDGONSA-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-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171169098
1-[(1S)-1-(5-bromo-2-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171276906
1-[(1S)-1-(4-chloro-2-methylphenyl)-3-methylbutyl]piperazine
CID 171281403
1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287565
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
2-bromo-3-chloro-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171298308
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594
1-[(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171288505
1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
CID 171167786
1-[(1R)-1-(3,6-dichloro-2-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171296409
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171166241

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride (CID 171275949) is 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride is CC(C)C[C@@H](c1cc(Cl)ccc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
The InChIKey is RJLRAEUIALZLFK-CKUXDGONSA-N. The full InChI is InChI=1S/C15H22Cl2N2.2ClH/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;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,5-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-[(1S)-1-(2,5-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).