1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine

C17H27FN2O — CID 171310391

IUPAC1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
SMILESCOc1cc(F)ccc1[C@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C17H27FN2O/c1-13(2)4-7-16(20-10-8-19-9-11-20)15-6-5-14(18)12-17(15)21-3/h5-6,12-13,16,19H,4,7-11H2,1-3H3/t16-/m0/s1
InChIKeyBLVDPZLXYCAHSH-INIZCTEOSA-N
MW294.41 g/mol
LogP3.22
Rot. Bonds6

About 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine

1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine (PubChem CID 171310391) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
PubChem CID171310391
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
SMILESCOc1cc(F)ccc1[C@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C17H27FN2O/c1-13(2)4-7-16(20-10-8-19-9-11-20)15-6-5-14(18)12-17(15)21-3/h5-6,12-13,16,19H,4,7-11H2,1-3H3/t16-/m0/s1
InChIKeyBLVDPZLXYCAHSH-INIZCTEOSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171170122
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171164771
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
CID 171281332
1-[(1R)-1-(4-fluoro-2-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170036
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311061
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171164790
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311328

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine (CID 171310391) is 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine is COc1cc(F)ccc1[C@H](CCC(C)C)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine?
The InChIKey is BLVDPZLXYCAHSH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13(2)4-7-16(20-10-8-19-9-11-20)15-6-5-14(18)12-17(15)21-3/h5-6,12-13,16,19H,4,7-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine?
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine has a molecular weight of 294.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).