1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine

C16H25FN2O — CID 171171825

IUPAC1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)ccc1F)N1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-16(19-10-8-18-9-11-19)14-12-13(20-2)6-7-15(14)17/h6-7,12,16,18H,3-5,8-11H2,1-2H3/t16-/m1/s1
InChIKeyUQKLRVMKKCYBHR-MRXNPFEDSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds6

About 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine

1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine (PubChem CID 171171825) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
PubChem CID171171825
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)ccc1F)N1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-16(19-10-8-18-9-11-19)14-12-13(20-2)6-7-15(14)17/h6-7,12,16,18H,3-5,8-11H2,1-2H3/t16-/m1/s1
InChIKeyUQKLRVMKKCYBHR-MRXNPFEDSA-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-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171167852
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)butyl]piperazine
CID 171168534
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171165648
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174205

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine (CID 171171825) is 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine is CCCC[C@H](c1cc(OC)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine?
The InChIKey is UQKLRVMKKCYBHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-4-5-16(19-10-8-18-9-11-19)14-12-13(20-2)6-7-15(14)17/h6-7,12,16,18H,3-5,8-11H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine?
1-[(1R)-1-(2-fluoro-5-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-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171171825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).