1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine

C16H25FN2O — CID 171163686

IUPAC1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(OC)c(F)c1)N1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-15(19-10-8-18-9-11-19)13-6-7-16(20-2)14(17)12-13/h6-7,12,15,18H,3-5,8-11H2,1-2H3/t15-/m0/s1
InChIKeyLKOXMNDKPNAFRN-HNNXBMFYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds6

About 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine

1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine (PubChem CID 171163686) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
PubChem CID171163686
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(OC)c(F)c1)N1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-15(19-10-8-18-9-11-19)13-6-7-16(20-2)14(17)12-13/h6-7,12,15,18H,3-5,8-11H2,1-2H3/t15-/m0/s1
InChIKeyLKOXMNDKPNAFRN-HNNXBMFYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171163687
(4S)-4-(3-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174249
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173484
1-[(1S)-1-(3-bromo-4-methoxyphenyl)pentyl]piperazine
CID 171309147
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1R)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171307566
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171308863
1-[1-(3-ethoxy-4-methoxyphenyl)pentyl]-1,4-diazepane
CID 3285664

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine (CID 171163686) is 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine is CCCC[C@@H](c1ccc(OC)c(F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine?
The InChIKey is LKOXMNDKPNAFRN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-4-5-15(19-10-8-18-9-11-19)13-6-7-16(20-2)14(17)12-13/h6-7,12,15,18H,3-5,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine?
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 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-fluoro-4-methoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171163686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).