1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride

C18H32Cl2N2 — CID 171286892

IUPAC1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1ccc(C(C)C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N2.2ClH/c1-14(2)13-18(20-11-9-19-10-12-20)17-7-5-16(6-8-17)15(3)4;;/h5-8,14-15,18-19H,9-13H2,1-4H3;2*1H/t18-;;/m1../s1
InChIKeyZSIORWAVSLLGOW-JPKZNVRTSA-N
MW347.37 g/mol
LogP4.65
Rot. Bonds5

About 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride

1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride (PubChem CID 171286892) has the molecular formula C18H32Cl2N2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
PubChem CID171286892
Molecular FormulaC18H32Cl2N2
Molecular Weight347.37 g/mol
Exact Mass346.19
IUPAC Name1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
SMILESCC(C)C[C@H](c1ccc(C(C)C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H30N2.2ClH/c1-14(2)13-18(20-11-9-19-10-12-20)17-7-5-16(6-8-17)15(3)4;;/h5-8,14-15,18-19H,9-13H2,1-4H3;2*1H/t18-;;/m1../s1
InChIKeyZSIORWAVSLLGOW-JPKZNVRTSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-[(1R)-3-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine;dihydrochloride
CID 171294587
1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287565
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
1-[(1S)-1-(3,4-dimethylphenyl)-3-methylbutyl]piperazine
CID 95467094
trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171291668
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
CID 171172366
1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
CID 171170906

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride (CID 171286892) is 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride is CC(C)C[C@H](c1ccc(C(C)C)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride?
The InChIKey is ZSIORWAVSLLGOW-JPKZNVRTSA-N. The full InChI is InChI=1S/C18H30N2.2ClH/c1-14(2)13-18(20-11-9-19-10-12-20)17-7-5-16(6-8-17)15(3)4;;/h5-8,14-15,18-19H,9-13H2,1-4H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride has a molecular weight of 347.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).