1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine

C16H21F3N2O — CID 171296994

IUPAC1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1cc(C(F)(F)F)ccc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-22-14-10-12(16(17,18)19)4-5-13(14)15(11-2-3-11)21-8-6-20-7-9-21/h4-5,10-11,15,20H,2-3,6-9H2,1H3/t15-/m1/s1
InChIKeyKGUVTCRUXUNSIS-OAHLLOKOSA-N
MW314.35 g/mol
LogP3.07
Rot. Bonds4

About 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171296994) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171296994
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1cc(C(F)(F)F)ccc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-22-14-10-12(16(17,18)19)4-5-13(14)15(11-2-3-11)21-8-6-20-7-9-21/h4-5,10-11,15,20H,2-3,6-9H2,1H3/t15-/m1/s1
InChIKeyKGUVTCRUXUNSIS-OAHLLOKOSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171181596
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171181597
1-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171296986
1-[(1S)-3,3-difluoro-1-[2-methoxy-4-(trifluoromethyl)phenyl]propyl]piperazine
CID 171181578
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286189
1-[(S)-[2-methoxy-4-(trifluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171284354

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine (CID 171296994) is 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine is COc1cc(C(F)(F)F)ccc1[C@@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is KGUVTCRUXUNSIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-22-14-10-12(16(17,18)19)4-5-13(14)15(11-2-3-11)21-8-6-20-7-9-21/h4-5,10-11,15,20H,2-3,6-9H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 314.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171296994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).