1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride

C16H27Cl3N2 — CID 171311166

IUPAC1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@H](c1ccccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H25ClN2.2ClH/c1-13(2)7-8-16(19-11-9-18-10-12-19)14-5-3-4-6-15(14)17;;/h3-6,13,16,18H,7-12H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyZEBIJENUHACTHL-GGMCWBHBSA-N
MW353.77 g/mol
LogP4.57
Rot. Bonds5

About 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171311166) has the molecular formula C16H27Cl3N2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171311166
Molecular FormulaC16H27Cl3N2
Molecular Weight353.77 g/mol
Exact Mass352.12
IUPAC Name1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@H](c1ccccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H25ClN2.2ClH/c1-13(2)7-8-16(19-11-9-18-10-12-19)14-5-3-4-6-15(14)17;;/h3-6,13,16,18H,7-12H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyZEBIJENUHACTHL-GGMCWBHBSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile
CID 171310787
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171310211
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310090
1-[(1S)-4-methyl-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171310434
1-[(1S)-4-methyl-1-(2,3,5-trichlorophenyl)pentyl]piperazine
CID 171310469

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride (CID 171311166) is 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride is CC(C)CC[C@H](c1ccccc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is ZEBIJENUHACTHL-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H25ClN2.2ClH/c1-13(2)7-8-16(19-11-9-18-10-12-19)14-5-3-4-6-15(14)17;;/h3-6,13,16,18H,7-12H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 353.77 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171311166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).