4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride

C14H22ClFN2O2 — CID 171163905

IUPAC4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](CCF)N2CCNCC2)ccc1O.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-19-14-10-11(2-3-13(14)18)12(4-5-15)17-8-6-16-7-9-17;/h2-3,10,12,16,18H,4-9H2,1H3;1H/t12-;/m0./s1
InChIKeyNCWUNIVAOHAZBW-YDALLXLXSA-N
MW304.79 g/mol
LogP2.13
Rot. Bonds5

About 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride

4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride (PubChem CID 171163905) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
PubChem CID171163905
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](CCF)N2CCNCC2)ccc1O.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-19-14-10-11(2-3-13(14)18)12(4-5-15)17-8-6-16-7-9-17;/h2-3,10,12,16,18H,4-9H2,1H3;1H/t12-;/m0./s1
InChIKeyNCWUNIVAOHAZBW-YDALLXLXSA-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

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Related Compounds

2-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303539
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273405
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171167951
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
CID 171273772
4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171168741
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173484

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride (CID 171163905) is 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride is COc1cc([C@H](CCF)N2CCNCC2)ccc1O.Cl.
What is the InChIKey of 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride?
The InChIKey is NCWUNIVAOHAZBW-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-19-14-10-11(2-3-13(14)18)12(4-5-15)17-8-6-16-7-9-17;/h2-3,10,12,16,18H,4-9H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride?
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-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-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 171163905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).