1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride

C17H21ClF2N2 — CID 171175433

IUPAC1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C17H20F2N2.ClH/c18-17(19)12-16(21-9-7-20-8-10-21)15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,16-17,20H,7-10,12H2;1H/t16-;/m1./s1
InChIKeyHERHXLIHFLTWRQ-PKLMIRHRSA-N
MW326.82 g/mol
LogP3.86
Rot. Bonds4

About 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride

1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride (PubChem CID 171175433) has the molecular formula C17H21ClF2N2 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
PubChem CID171175433
Molecular FormulaC17H21ClF2N2
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C17H20F2N2.ClH/c18-17(19)12-16(21-9-7-20-8-10-21)15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,16-17,20H,7-10,12H2;1H/t16-;/m1./s1
InChIKeyHERHXLIHFLTWRQ-PKLMIRHRSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
CID 171177597
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
2-chloro-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171178985
1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171179209
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427
1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171177676

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride (CID 171175433) is 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride is Cl.FC(F)C[C@H](c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride?
The InChIKey is HERHXLIHFLTWRQ-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H20F2N2.ClH/c18-17(19)12-16(21-9-7-20-8-10-21)15-6-5-13-3-1-2-4-14(13)11-15;/h1-6,11,16-17,20H,7-10,12H2;1H/t16-;/m1./s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride?
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 171175433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).