4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride

C17H20ClF3N2O — CID 171171355

IUPAC4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
SMILESCl.Oc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)c2ccccc12
InChIInChI=1S/C17H19F3N2O.ClH/c18-17(19,20)11-15(22-9-7-21-8-10-22)13-5-6-16(23)14-4-2-1-3-12(13)14;/h1-6,15,21,23H,7-11H2;1H/t15-;/m1./s1
InChIKeyRMYJZFVUZQHHKR-XFULWGLBSA-N
MW360.81 g/mol
LogP3.87
Rot. Bonds3

About 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride

4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride (PubChem CID 171171355) has the molecular formula C17H20ClF3N2O and a molecular weight of 360.81 g/mol. Its IUPAC name is 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
PubChem CID171171355
Molecular FormulaC17H20ClF3N2O
Molecular Weight360.81 g/mol
Exact Mass360.12
IUPAC Name4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
SMILESCl.Oc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)c2ccccc12
InChIInChI=1S/C17H19F3N2O.ClH/c18-17(19,20)11-15(22-9-7-21-8-10-22)13-5-6-16(23)14-4-2-1-3-12(13)14;/h1-6,15,21,23H,7-11H2;1H/t15-;/m1./s1
InChIKeyRMYJZFVUZQHHKR-XFULWGLBSA-N
XLogP3.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
CID 171292390
4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
CID 171308012
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171180287
4-fluoro-2-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171303318
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171302352
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162790
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride?
The IUPAC name of 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride (CID 171171355) is 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride.
What is the SMILES notation for 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride?
The canonical SMILES for 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride is Cl.Oc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)c2ccccc12.
What is the InChIKey of 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride?
The InChIKey is RMYJZFVUZQHHKR-XFULWGLBSA-N. The full InChI is InChI=1S/C17H19F3N2O.ClH/c18-17(19,20)11-15(22-9-7-21-8-10-22)13-5-6-16(23)14-4-2-1-3-12(13)14;/h1-6,15,21,23H,7-11H2;1H/t15-;/m1./s1.
What are the key properties of 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride?
4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride has a molecular weight of 360.81 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride is sourced from PubChem (CID 171171355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).