1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine

C16H20F4N2 — CID 171165589

IUPAC1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFc1c([C@H](CC2CC2)N2CCNCC2)cccc1C(F)(F)F
InChIInChI=1S/C16H20F4N2/c17-15-12(2-1-3-13(15)16(18,19)20)14(10-11-4-5-11)22-8-6-21-7-9-22/h1-3,11,14,21H,4-10H2/t14-/m0/s1
InChIKeyYHXPLOAMFFLQFA-AWEZNQCLSA-N
MW316.34 g/mol
LogP3.59
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine

1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 171165589) has the molecular formula C16H20F4N2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID171165589
Molecular FormulaC16H20F4N2
Molecular Weight316.34 g/mol
Exact Mass316.16
IUPAC Name1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFc1c([C@H](CC2CC2)N2CCNCC2)cccc1C(F)(F)F
InChIInChI=1S/C16H20F4N2/c17-15-12(2-1-3-13(15)16(18,19)20)14(10-11-4-5-11)22-8-6-21-7-9-22/h1-3,11,14,21H,4-10H2/t14-/m0/s1
InChIKeyYHXPLOAMFFLQFA-AWEZNQCLSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165085
1-[(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171172358
1-[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171165572
1-[(1S)-2-cyclopropyl-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165457
1-[(1R)-3-fluoro-1-[2-fluoro-3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170871
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276706
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171279258
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170943
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine (CID 171165589) is 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine is Fc1c([C@H](CC2CC2)N2CCNCC2)cccc1C(F)(F)F.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is YHXPLOAMFFLQFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F4N2/c17-15-12(2-1-3-13(15)16(18,19)20)14(10-11-4-5-11)22-8-6-21-7-9-22/h1-3,11,14,21H,4-10H2/t14-/m0/s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine?
1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 316.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 171165589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).