1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride

C17H29Cl3N2 — CID 171307770

IUPAC1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1ccc(C)c(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27ClN2.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-8-7-14(2)16(18)13-15;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyWIXZRITUIJEVCA-ZEECNFPPSA-N
MW367.79 g/mol
LogP5.02
Rot. Bonds6

About 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171307770) has the molecular formula C17H29Cl3N2 and a molecular weight of 367.79 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171307770
Molecular FormulaC17H29Cl3N2
Molecular Weight367.79 g/mol
Exact Mass366.14
IUPAC Name1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1ccc(C)c(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27ClN2.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-8-7-14(2)16(18)13-15;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyWIXZRITUIJEVCA-ZEECNFPPSA-N
XLogP5.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.79
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(3-fluoro-4-methylphenyl)hexyl]piperazine
CID 171164247
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309700
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308402
1-[(1S)-1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171164324
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171170981
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1S)-1-(4-chloro-3-methoxyphenyl)hexyl]piperazine
CID 171309433
4-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol
CID 171307270
1-[(1S)-1-(3,4-dibromophenyl)hexyl]piperazine
CID 171309713
1-[(1S)-1-(2-chloro-6-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171309408
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride (CID 171307770) is 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1ccc(C)c(Cl)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is WIXZRITUIJEVCA-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H27ClN2.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-8-7-14(2)16(18)13-15;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 367.79 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).