4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride

C14H22ClFN2O2 — CID 171168741

IUPAC4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-19-14-10-11(18)2-3-12(14)13(4-5-15)17-8-6-16-7-9-17;/h2-3,10,13,16,18H,4-9H2,1H3;1H/t13-;/m1./s1
InChIKeySLZBYXVTLJYYNI-BTQNPOSSSA-N
MW304.79 g/mol
LogP2.13
Rot. Bonds5

About 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride

4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride (PubChem CID 171168741) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
PubChem CID171168741
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-19-14-10-11(18)2-3-12(14)13(4-5-15)17-8-6-16-7-9-17;/h2-3,10,13,16,18H,4-9H2,1H3;1H/t13-;/m1./s1
InChIKeySLZBYXVTLJYYNI-BTQNPOSSSA-N
XLogP2.13
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride 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

3-methoxy-4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171274519
4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol
CID 171178711
3-methoxy-4-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171274515
3-methoxy-4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171287149
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol;hydrochloride
CID 171168695
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,4-diol;hydrochloride
CID 171163343
3-methoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287122
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol
CID 171168694
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
4-bromo-2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-6-methoxyphenol;hydrochloride
CID 171167280
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
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)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride (CID 171168741) is 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride is COc1cc(O)ccc1[C@@H](CCF)N1CCNCC1.Cl.
What is the InChIKey of 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride?
The InChIKey is SLZBYXVTLJYYNI-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-19-14-10-11(18)2-3-12(14)13(4-5-15)17-8-6-16-7-9-17;/h2-3,10,13,16,18H,4-9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride?
4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171168741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).