4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol

C14H21FN2O3 — CID 171182345

IUPAC4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@H](CF)N2CCNCC2)cc(OC)c1O
InChIInChI=1S/C14H21FN2O3/c1-19-12-7-10(8-13(20-2)14(12)18)11(9-15)17-5-3-16-4-6-17/h7-8,11,16,18H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyBYWCTVZPTJBQRV-NSHDSACASA-N
MW284.33 g/mol
LogP1.33
Rot. Bonds5

About 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol (PubChem CID 171182345) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
PubChem CID171182345
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@H](CF)N2CCNCC2)cc(OC)c1O
InChIInChI=1S/C14H21FN2O3/c1-19-12-7-10(8-13(20-2)14(12)18)11(9-15)17-5-3-16-4-6-17/h7-8,11,16,18H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyBYWCTVZPTJBQRV-NSHDSACASA-N
XLogP1.33
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
CID 171273772
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;hydrochloride
CID 171182151
2-bromo-4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171278511
2,6-dimethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171168552
2,6-dimethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171286402
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181783
2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702
2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171278504
2,3-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296298
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
CID 171286398
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171181788

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol (CID 171182345) is 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol is COc1cc([C@H](CF)N2CCNCC2)cc(OC)c1O.
What is the InChIKey of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol?
The InChIKey is BYWCTVZPTJBQRV-NSHDSACASA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-19-12-7-10(8-13(20-2)14(12)18)11(9-15)17-5-3-16-4-6-17/h7-8,11,16,18H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol?
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol has a molecular weight of 284.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 171182345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).