1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine

C17H27FN2 — CID 171163935

IUPAC1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@@H](c1cccc(F)c1C)N1CCNCC1
InChIInChI=1S/C17H27FN2/c1-4-6-13(2)17(20-11-9-19-10-12-20)15-7-5-8-16(18)14(15)3/h5,7-8,13,17,19H,4,6,9-12H2,1-3H3/t13?,17-/m0/s1
InChIKeyRUDRIANOKVTOLW-RUINGEJQSA-N
MW278.41 g/mol
LogP3.52
Rot. Bonds5

About 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine

1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine (PubChem CID 171163935) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine
PubChem CID171163935
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@@H](c1cccc(F)c1C)N1CCNCC1
InChIInChI=1S/C17H27FN2/c1-4-6-13(2)17(20-11-9-19-10-12-20)15-7-5-8-16(18)14(15)3/h5,7-8,13,17,19H,4,6,9-12H2,1-3H3/t13?,17-/m0/s1
InChIKeyRUDRIANOKVTOLW-RUINGEJQSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine 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-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170836
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-methylpentyl]piperazine
CID 171171984
1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171171899
1-[(1S)-2-methyl-1-[2-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine;hydrochloride
CID 171167042
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171174280
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171169689
1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168949
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171163196
1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine
CID 171171865
1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
CID 171169865

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine (CID 171163935) is 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine is CCCC(C)[C@@H](c1cccc(F)c1C)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine?
The InChIKey is RUDRIANOKVTOLW-RUINGEJQSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-6-13(2)17(20-11-9-19-10-12-20)15-7-5-8-16(18)14(15)3/h5,7-8,13,17,19H,4,6,9-12H2,1-3H3/t13?,17-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine?
1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine has a molecular weight of 278.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine is sourced from PubChem (CID 171163935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).