(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol

C15H23FN2O2 — CID 171173679

IUPAC(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
SMILESCOc1cccc([C@@H](CCCO)N2CCNCC2)c1F
InChIInChI=1S/C15H23FN2O2/c1-20-14-6-2-4-12(15(14)16)13(5-3-11-19)18-9-7-17-8-10-18/h2,4,6,13,17,19H,3,5,7-11H2,1H3/t13-/m1/s1
InChIKeyNQZRXGQDTGQNIF-CYBMUJFWSA-N
MW282.36 g/mol
LogP1.55
Rot. Bonds6

About (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol

(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol (PubChem CID 171173679) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol.

Molecular Properties

Compound Name(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
PubChem CID171173679
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
SMILESCOc1cccc([C@@H](CCCO)N2CCNCC2)c1F
InChIInChI=1S/C15H23FN2O2/c1-20-14-6-2-4-12(15(14)16)13(5-3-11-19)18-9-7-17-8-10-18/h2,4,6,13,17,19H,3,5,7-11H2,1H3/t13-/m1/s1
InChIKeyNQZRXGQDTGQNIF-CYBMUJFWSA-N
XLogP1.55
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170282
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171290555
(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174205
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
(4S)-4-(2-chloro-3-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174284
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189484
(4R)-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173831
(4S)-4-(3-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174249

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
The IUPAC name of (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol (CID 171173679) is (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol.
What is the SMILES notation for (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
The canonical SMILES for (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol is COc1cccc([C@@H](CCCO)N2CCNCC2)c1F.
What is the InChIKey of (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
The InChIKey is NQZRXGQDTGQNIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-20-14-6-2-4-12(15(14)16)13(5-3-11-19)18-9-7-17-8-10-18/h2,4,6,13,17,19H,3,5,7-11H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol?
(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol is sourced from PubChem (CID 171173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).