1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine

C18H24F4N2 — CID 171165291

IUPAC1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1cc(C(F)(F)F)ccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H24F4N2/c19-16-12-14(18(20,21)22)6-7-15(16)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24/h6-7,12-13,17,23H,1-5,8-11H2/t17-/m0/s1
InChIKeyJCOHKXXWTQHZPP-KRWDZBQOSA-N
MW344.40 g/mol
LogP4.37
Rot. Bonds3

About 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171165291) has the molecular formula C18H24F4N2 and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171165291
Molecular FormulaC18H24F4N2
Molecular Weight344.40 g/mol
Exact Mass344.19
IUPAC Name1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1cc(C(F)(F)F)ccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H24F4N2/c19-16-12-14(18(20,21)22)6-7-15(16)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24/h6-7,12-13,17,23H,1-5,8-11H2/t17-/m0/s1
InChIKeyJCOHKXXWTQHZPP-KRWDZBQOSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291687
1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171170667
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171280552
1-[(S)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180538
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292751
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
1-[(S)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171278973
1-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine (CID 171165291) is 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine is Fc1cc(C(F)(F)F)ccc1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is JCOHKXXWTQHZPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24F4N2/c19-16-12-14(18(20,21)22)6-7-15(16)17(13-4-2-1-3-5-13)24-10-8-23-9-11-24/h6-7,12-13,17,23H,1-5,8-11H2/t17-/m0/s1.
What are the key properties of 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 344.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171165291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).