2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol

C14H21FN2O2 — CID 171168694

IUPAC2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol
SMILESCOc1ccc([C@@H](CCF)N2CCNCC2)c(O)c1
InChIInChI=1S/C14H21FN2O2/c1-19-11-2-3-12(14(18)10-11)13(4-5-15)17-8-6-16-7-9-17/h2-3,10,13,16,18H,4-9H2,1H3/t13-/m1/s1
InChIKeyRLVLYEQJMRCFIF-CYBMUJFWSA-N
MW268.33 g/mol
LogP1.71
Rot. Bonds5

About 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol

2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol (PubChem CID 171168694) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol
PubChem CID171168694
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol
SMILESCOc1ccc([C@@H](CCF)N2CCNCC2)c(O)c1
InChIInChI=1S/C14H21FN2O2/c1-19-11-2-3-12(14(18)10-11)13(4-5-15)17-8-6-16-7-9-17/h2-3,10,13,16,18H,4-9H2,1H3/t13-/m1/s1
InChIKeyRLVLYEQJMRCFIF-CYBMUJFWSA-N
XLogP1.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol;hydrochloride
CID 171168695
2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
CID 171183348
1-[(1R)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171067
1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169936
4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171168741
(4S)-4-(2-fluoro-4-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174205
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,4-diol;hydrochloride
CID 171163343
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)butyl]piperazine
CID 171168534
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171275916
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol?
The IUPAC name of 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol (CID 171168694) is 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol?
The canonical SMILES for 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol is COc1ccc([C@@H](CCF)N2CCNCC2)c(O)c1.
What is the InChIKey of 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol?
The InChIKey is RLVLYEQJMRCFIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-19-11-2-3-12(14(18)10-11)13(4-5-15)17-8-6-16-7-9-17/h2-3,10,13,16,18H,4-9H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol?
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol has a molecular weight of 268.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol is sourced from PubChem (CID 171168694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).