4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol

C14H21FN2O2 — CID 171299716

IUPAC4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol
SMILESCC[C@@H](c1cc(F)cc(OC)c1O)N1CCNCC1
InChIInChI=1S/C14H21FN2O2/c1-3-12(17-6-4-16-5-7-17)11-8-10(15)9-13(19-2)14(11)18/h8-9,12,16,18H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyVXAHZUFIUXDGGH-LBPRGKRZSA-N
MW268.33 g/mol
LogP1.90
Rot. Bonds4

About 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol

4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol (PubChem CID 171299716) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol
PubChem CID171299716
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol
SMILESCC[C@@H](c1cc(F)cc(OC)c1O)N1CCNCC1
InChIInChI=1S/C14H21FN2O2/c1-3-12(17-6-4-16-5-7-17)11-8-10(15)9-13(19-2)14(11)18/h8-9,12,16,18H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyVXAHZUFIUXDGGH-LBPRGKRZSA-N
XLogP1.90
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.90
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-[(1R)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171170122
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171164771
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171299723
2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171281629
4-fluoro-2-methoxy-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171302201
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295369
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
CID 171182345
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
CID 171273772
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213
2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171278504
4-bromo-2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-6-methoxyphenol;hydrochloride
CID 171167280
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol?
The IUPAC name of 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol (CID 171299716) is 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol.
What is the SMILES notation for 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol?
The canonical SMILES for 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol is CC[C@@H](c1cc(F)cc(OC)c1O)N1CCNCC1.
What is the InChIKey of 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol?
The InChIKey is VXAHZUFIUXDGGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-12(17-6-4-16-5-7-17)11-8-10(15)9-13(19-2)14(11)18/h8-9,12,16,18H,3-7H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol?
4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol has a molecular weight of 268.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol is sourced from PubChem (CID 171299716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).