1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine

C15H17ClF6N2 — CID 171172857

IUPAC1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
SMILESFC(F)(F)CC[C@H](c1ccc(C(F)(F)F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H17ClF6N2/c16-12-9-10(1-2-11(12)15(20,21)22)13(3-4-14(17,18)19)24-7-5-23-6-8-24/h1-2,9,13,23H,3-8H2/t13-/m1/s1
InChIKeyGRYQUTKBTFTXRC-CYBMUJFWSA-N
MW374.76 g/mol
LogP4.65
Rot. Bonds4

About 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine

1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine (PubChem CID 171172857) has the molecular formula C15H17ClF6N2 and a molecular weight of 374.76 g/mol. Its IUPAC name is 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
PubChem CID171172857
Molecular FormulaC15H17ClF6N2
Molecular Weight374.76 g/mol
Exact Mass374.10
IUPAC Name1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
SMILESFC(F)(F)CC[C@H](c1ccc(C(F)(F)F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H17ClF6N2/c16-12-9-10(1-2-11(12)15(20,21)22)13(3-4-14(17,18)19)24-7-5-23-6-8-24/h1-2,9,13,23H,3-8H2/t13-/m1/s1
InChIKeyGRYQUTKBTFTXRC-CYBMUJFWSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172858
(3R)-3-[3-chloro-4-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174033
(4R)-4-[3-chloro-4-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174087
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171174831
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309700
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171283528
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308402
1-[(1S)-1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171164324
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171172870
(3R)-3-[3-chloro-4-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307155
1-[(1R)-1-(4-chloro-3-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172632
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171165636

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine (CID 171172857) is 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine is FC(F)(F)CC[C@H](c1ccc(C(F)(F)F)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine?
The InChIKey is GRYQUTKBTFTXRC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17ClF6N2/c16-12-9-10(1-2-11(12)15(20,21)22)13(3-4-14(17,18)19)24-7-5-23-6-8-24/h1-2,9,13,23H,3-8H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine?
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine has a molecular weight of 374.76 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine is sourced from PubChem (CID 171172857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).