1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride

C18H22ClF3N2 — CID 171168796

IUPAC1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)CC[C@H](c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C18H21F3N2.ClH/c19-18(20,21)8-7-17(23-11-9-22-10-12-23)16-6-5-14-3-1-2-4-15(14)13-16;/h1-6,13,17,22H,7-12H2;1H/t17-;/m1./s1
InChIKeyIMHSSUZORZUHGM-UNTBIKODSA-N
MW358.84 g/mol
LogP4.55
Rot. Bonds4

About 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride

1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride (PubChem CID 171168796) has the molecular formula C18H22ClF3N2 and a molecular weight of 358.84 g/mol. Its IUPAC name is 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
PubChem CID171168796
Molecular FormulaC18H22ClF3N2
Molecular Weight358.84 g/mol
Exact Mass358.14
IUPAC Name1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)CC[C@H](c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C18H21F3N2.ClH/c19-18(20,21)8-7-17(23-11-9-22-10-12-23)16-6-5-14-3-1-2-4-15(14)13-16;/h1-6,13,17,22H,7-12H2;1H/t17-;/m1./s1
InChIKeyIMHSSUZORZUHGM-UNTBIKODSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
CID 171168427
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171303683
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
CID 171172679
1-[(1R)-4,4,4-trifluoro-1-(3-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303909
1-[(1S)-1-(3,4-dibromophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303163
1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172658
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride (CID 171168796) is 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride is Cl.FC(F)(F)CC[C@H](c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride?
The InChIKey is IMHSSUZORZUHGM-UNTBIKODSA-N. The full InChI is InChI=1S/C18H21F3N2.ClH/c19-18(20,21)8-7-17(23-11-9-22-10-12-23)16-6-5-14-3-1-2-4-15(14)13-16;/h1-6,13,17,22H,7-12H2;1H/t17-;/m1./s1.
What are the key properties of 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride?
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride has a molecular weight of 358.84 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride is sourced from PubChem (CID 171168796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).