1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride

C17H30Cl2N2 — CID 171305273

IUPAC1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@@H](c1c(C)cccc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2.2ClH/c1-5-13(2)17(19-11-9-18-10-12-19)16-14(3)7-6-8-15(16)4;;/h6-8,13,17-18H,5,9-12H2,1-4H3;2*1H/t13?,17-;;/m0../s1
InChIKeyCWGMOZNHJLQHJA-GFKZBSTBSA-N
MW333.35 g/mol
LogP4.14
Rot. Bonds4

About 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride

1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride (PubChem CID 171305273) has the molecular formula C17H30Cl2N2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
PubChem CID171305273
Molecular FormulaC17H30Cl2N2
Molecular Weight333.35 g/mol
Exact Mass332.18
IUPAC Name1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@@H](c1c(C)cccc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H28N2.2ClH/c1-5-13(2)17(19-11-9-18-10-12-19)16-14(3)7-6-8-15(16)4;;/h6-8,13,17-18H,5,9-12H2,1-4H3;2*1H/t13?,17-;;/m0../s1
InChIKeyCWGMOZNHJLQHJA-GFKZBSTBSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570
1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305449
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-[(1R)-2-methyl-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;dihydrochloride
CID 171304731
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
3-methoxy-2-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305702
3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171304359
1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
CID 171305510
1-[(1S)-2-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171305299
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride (CID 171305273) is 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride is CCC(C)[C@@H](c1c(C)cccc1C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
The InChIKey is CWGMOZNHJLQHJA-GFKZBSTBSA-N. The full InChI is InChI=1S/C17H28N2.2ClH/c1-5-13(2)17(19-11-9-18-10-12-19)16-14(3)7-6-8-15(16)4;;/h6-8,13,17-18H,5,9-12H2,1-4H3;2*1H/t13?,17-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride has a molecular weight of 333.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171305273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).