6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride

C16H21Cl2FN2O — CID 171275145

IUPAC6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc2cc([C@H](CF)N3CCNCC3)ccc2c1
InChIInChI=1S/C16H19FN2O.2ClH/c17-11-16(19-7-5-18-6-8-19)14-2-1-13-10-15(20)4-3-12(13)9-14;;/h1-4,9-10,16,18,20H,5-8,11H2;2*1H/t16-;;/m0../s1
InChIKeyXFSJPQALDIOCFK-SQKCAUCHSA-N
MW347.26 g/mol
LogP3.30
Rot. Bonds3

About 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride

6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride (PubChem CID 171275145) has the molecular formula C16H21Cl2FN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride.

Molecular Properties

Compound Name6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
PubChem CID171275145
Molecular FormulaC16H21Cl2FN2O
Molecular Weight347.26 g/mol
Exact Mass346.10
IUPAC Name6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc2cc([C@H](CF)N3CCNCC3)ccc2c1
InChIInChI=1S/C16H19FN2O.2ClH/c17-11-16(19-7-5-18-6-8-19)14-2-1-13-10-15(20)4-3-12(13)9-14;;/h1-4,9-10,16,18,20H,5-8,11H2;2*1H/t16-;;/m0../s1
InChIKeyXFSJPQALDIOCFK-SQKCAUCHSA-N
XLogP3.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
CID 171275163
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
CID 171275172
6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
CID 171287800
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288327
1-[(1S)-1-(3,4-dibromophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171296260
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
2,6-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171286553
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
1-[(1S)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171288465
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The IUPAC name of 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride (CID 171275145) is 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride.
What is the SMILES notation for 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The canonical SMILES for 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride is Cl.Cl.Oc1ccc2cc([C@H](CF)N3CCNCC3)ccc2c1.
What is the InChIKey of 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The InChIKey is XFSJPQALDIOCFK-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H19FN2O.2ClH/c17-11-16(19-7-5-18-6-8-19)14-2-1-13-10-15(20)4-3-12(13)9-14;;/h1-4,9-10,16,18,20H,5-8,11H2;2*1H/t16-;;/m0../s1.
What are the key properties of 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride has a molecular weight of 347.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride is sourced from PubChem (CID 171275145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).