4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride

C16H21Cl2FN2O — CID 171279766

IUPAC4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@H](CF)N2CCNCC2)c2ccccc12
InChIInChI=1S/C16H19FN2O.2ClH/c17-11-15(19-9-7-18-8-10-19)13-5-6-16(20)14-4-2-1-3-12(13)14;;/h1-6,15,18,20H,7-11H2;2*1H/t15-;;/m0../s1
InChIKeyFQROZHPHRZNEFO-CKUXDGONSA-N
MW347.26 g/mol
LogP3.30
Rot. Bonds3

About 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride (PubChem CID 171279766) has the molecular formula C16H21Cl2FN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
PubChem CID171279766
Molecular FormulaC16H21Cl2FN2O
Molecular Weight347.26 g/mol
Exact Mass346.10
IUPAC Name4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@H](CF)N2CCNCC2)c2ccccc12
InChIInChI=1S/C16H19FN2O.2ClH/c17-11-15(19-9-7-18-8-10-19)13-5-6-16(20)14-4-2-1-3-12(13)14;;/h1-6,15,18,20H,7-11H2;2*1H/t15-;;/m0../s1
InChIKeyFQROZHPHRZNEFO-CKUXDGONSA-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

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4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
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4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
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CID 171181716
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]benzene-1,2,3-triol
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4-[(1R)-1-piperazin-1-ylethyl]naphthalen-1-ol
CID 171292379
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
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4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171272111
2-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
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1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride?
The IUPAC name of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride (CID 171279766) is 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride.
What is the SMILES notation for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride?
The canonical SMILES for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride is Cl.Cl.Oc1ccc([C@H](CF)N2CCNCC2)c2ccccc12.
What is the InChIKey of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride?
The InChIKey is FQROZHPHRZNEFO-CKUXDGONSA-N. The full InChI is InChI=1S/C16H19FN2O.2ClH/c17-11-15(19-9-7-18-8-10-19)13-5-6-16(20)14-4-2-1-3-12(13)14;;/h1-6,15,18,20H,7-11H2;2*1H/t15-;;/m0../s1.
What are the key properties of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride?
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-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 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride is sourced from PubChem (CID 171279766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).