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

C16H26ClFN2O — CID 171163687

IUPAC1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1ccc(OC)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C16H25FN2O.ClH/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;1H/t15-;/m0./s1
InChIKeyBXVOPVVHNGVQBC-RSAXXLAASA-N
MW316.85 g/mol
LogP3.39
Rot. Bonds6

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

1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride (PubChem CID 171163687) has the molecular formula C16H26ClFN2O and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
PubChem CID171163687
Molecular FormulaC16H26ClFN2O
Molecular Weight316.85 g/mol
Exact Mass316.17
IUPAC Name1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1ccc(OC)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C16H25FN2O.ClH/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;1H/t15-;/m0./s1
InChIKeyBXVOPVVHNGVQBC-RSAXXLAASA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686
(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-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-[(1S)-1-(3-bromo-4-methoxyphenyl)pentyl]piperazine
CID 171309147
1-[(1R)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171307566
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171308863
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)but-3-enyl]piperazine;hydrochloride
CID 171168827

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride (CID 171163687) is 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride is CCCC[C@@H](c1ccc(OC)c(F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride?
The InChIKey is BXVOPVVHNGVQBC-RSAXXLAASA-N. The full InChI is InChI=1S/C16H25FN2O.ClH/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;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride?
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 3.39, 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;hydrochloride is sourced from PubChem (CID 171163687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).