1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride

C19H34Cl2N2 — CID 171310942

IUPAC1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
SMILESCc1cc(C)c([C@@H](CCC(C)C)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C19H32N2.2ClH/c1-14(2)6-7-18(21-10-8-20-9-11-21)19-16(4)12-15(3)13-17(19)5;;/h12-14,18,20H,6-11H2,1-5H3;2*1H/t18-;;/m1../s1
InChIKeyLITXMJWLGGYMIS-JPKZNVRTSA-N
MW361.40 g/mol
LogP4.84
Rot. Bonds5

About 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride

1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171310942) has the molecular formula C19H34Cl2N2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171310942
Molecular FormulaC19H34Cl2N2
Molecular Weight361.40 g/mol
Exact Mass360.21
IUPAC Name1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
SMILESCc1cc(C)c([C@@H](CCC(C)C)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C19H32N2.2ClH/c1-14(2)6-7-18(21-10-8-20-9-11-21)19-16(4)12-15(3)13-17(19)5;;/h12-14,18,20H,6-11H2,1-5H3;2*1H/t18-;;/m1../s1
InChIKeyLITXMJWLGGYMIS-JPKZNVRTSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-fluoro-1-(2,4,6-trimethylphenyl)ethyl]piperazine;hydrochloride
CID 171181928
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972
4-methyl-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310034
1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
CID 171310915
1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
CID 171290602
3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171285589
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
CID 82302013
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine
CID 171310839

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride (CID 171310942) is 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride is Cc1cc(C)c([C@@H](CCC(C)C)N2CCNCC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is LITXMJWLGGYMIS-JPKZNVRTSA-N. The full InChI is InChI=1S/C19H32N2.2ClH/c1-14(2)6-7-18(21-10-8-20-9-11-21)19-16(4)12-15(3)13-17(19)5;;/h12-14,18,20H,6-11H2,1-5H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride?
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 361.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171310942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).