2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol

C15H17FN2O2 — CID 171175036

IUPAC2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
SMILESOc1c(F)cccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C15H17FN2O2/c16-12-4-1-3-11(15(12)19)14(13-5-2-10-20-13)18-8-6-17-7-9-18/h1-5,10,14,17,19H,6-9H2/t14-/m0/s1
InChIKeyUIDACXNXTPLYJC-AWEZNQCLSA-N
MW276.31 g/mol
LogP2.12
Rot. Bonds3

About 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol

2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol (PubChem CID 171175036) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
PubChem CID171175036
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
SMILESOc1c(F)cccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C15H17FN2O2/c16-12-4-1-3-11(15(12)19)14(13-5-2-10-20-13)18-8-6-17-7-9-18/h1-5,10,14,17,19H,6-9H2/t14-/m0/s1
InChIKeyUIDACXNXTPLYJC-AWEZNQCLSA-N
XLogP2.12
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
CID 171175035
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-6-fluorophenol
CID 171273073
2-fluoro-6-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178386
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol (CID 171175036) is 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol is Oc1c(F)cccc1[C@@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol?
The InChIKey is UIDACXNXTPLYJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-12-4-1-3-11(15(12)19)14(13-5-2-10-20-13)18-8-6-17-7-9-18/h1-5,10,14,17,19H,6-9H2/t14-/m0/s1.
What are the key properties of 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol?
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol has a molecular weight of 276.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol is sourced from PubChem (CID 171175036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).