1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine

C15H26N2S — CID 171308967

IUPAC1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
SMILESCCCCC[C@@H](c1sccc1C)N1CCNCC1
InChIInChI=1S/C15H26N2S/c1-3-4-5-6-14(15-13(2)7-12-18-15)17-10-8-16-9-11-17/h7,12,14,16H,3-6,8-11H2,1-2H3/t14-/m0/s1
InChIKeyNOSOCIBFTWPGLN-AWEZNQCLSA-N
MW266.45 g/mol
LogP3.58
Rot. Bonds6

About 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine

1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine (PubChem CID 171308967) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
PubChem CID171308967
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
SMILESCCCCC[C@@H](c1sccc1C)N1CCNCC1
InChIInChI=1S/C15H26N2S/c1-3-4-5-6-14(15-13(2)7-12-18-15)17-10-8-16-9-11-17/h7,12,14,16H,3-6,8-11H2,1-2H3/t14-/m0/s1
InChIKeyNOSOCIBFTWPGLN-AWEZNQCLSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1S)-1-(3-fluoro-4-methylphenyl)hexyl]piperazine
CID 171164247
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
CID 171307626
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine
CID 171308979
1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307770
2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine;dihydrochloride
CID 171308980
1-[(1S)-1-(2-chloro-6-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171309408

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine (CID 171308967) is 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine is CCCCC[C@@H](c1sccc1C)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine?
The InChIKey is NOSOCIBFTWPGLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-4-5-6-14(15-13(2)7-12-18-15)17-10-8-16-9-11-17/h7,12,14,16H,3-6,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine?
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine has a molecular weight of 266.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine is sourced from PubChem (CID 171308967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).