1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride

C19H24ClF3N2O — CID 171168427

IUPAC1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
SMILESCOc1ccc2cc([C@@H](CCC(F)(F)F)N3CCNCC3)ccc2c1.Cl
InChIInChI=1S/C19H23F3N2O.ClH/c1-25-17-5-4-14-12-16(3-2-15(14)13-17)18(6-7-19(20,21)22)24-10-8-23-9-11-24;/h2-5,12-13,18,23H,6-11H2,1H3;1H/t18-;/m1./s1
InChIKeyLHROWYZPIJNPGO-GMUIIQOCSA-N
MW388.86 g/mol
LogP4.56
Rot. Bonds5

About 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride

1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride (PubChem CID 171168427) has the molecular formula C19H24ClF3N2O and a molecular weight of 388.86 g/mol. Its IUPAC name is 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
PubChem CID171168427
Molecular FormulaC19H24ClF3N2O
Molecular Weight388.86 g/mol
Exact Mass388.15
IUPAC Name1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
SMILESCOc1ccc2cc([C@@H](CCC(F)(F)F)N3CCNCC3)ccc2c1.Cl
InChIInChI=1S/C19H23F3N2O.ClH/c1-25-17-5-4-14-12-16(3-2-15(14)13-17)18(6-7-19(20,21)22)24-10-8-23-9-11-24;/h2-5,12-13,18,23H,6-11H2,1H3;1H/t18-;/m1./s1
InChIKeyLHROWYZPIJNPGO-GMUIIQOCSA-N
XLogP4.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
(3S)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropan-1-ol
CID 171189440
1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
CID 171310667
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
1-[(1R)-1-(2,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303391
1-[(1S)-4,4,4-trifluoro-1-(4-fluoro-3-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302731
1-[(1R)-1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303651
2-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303539
(3R)-3-(6-methoxynaphthalen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 171306560

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride (CID 171168427) is 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride is COc1ccc2cc([C@@H](CCC(F)(F)F)N3CCNCC3)ccc2c1.Cl.
What is the InChIKey of 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride?
The InChIKey is LHROWYZPIJNPGO-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H23F3N2O.ClH/c1-25-17-5-4-14-12-16(3-2-15(14)13-17)18(6-7-19(20,21)22)24-10-8-23-9-11-24;/h2-5,12-13,18,23H,6-11H2,1H3;1H/t18-;/m1./s1.
What are the key properties of 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride?
1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride has a molecular weight of 388.86 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride is sourced from PubChem (CID 171168427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).