1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine

C17H18F3N3O — CID 171287676

IUPAC1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc([C@H](c2cccnc2)N2CCNCC2)cc1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)24-15-5-3-13(4-6-15)16(14-2-1-7-22-12-14)23-10-8-21-9-11-23/h1-7,12,16,21H,8-11H2/t16-/m1/s1
InChIKeyDZHZNAQWWVWZDY-MRXNPFEDSA-N
MW337.35 g/mol
LogP2.97
Rot. Bonds4

About 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171287676) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171287676
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc([C@H](c2cccnc2)N2CCNCC2)cc1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)24-15-5-3-13(4-6-15)16(14-2-1-7-22-12-14)23-10-8-21-9-11-23/h1-7,12,16,21H,8-11H2/t16-/m1/s1
InChIKeyDZHZNAQWWVWZDY-MRXNPFEDSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(R)-(5-bromo-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285546
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564
1-[(S)-(2-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171276388
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-(3-iodophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171293335
1-[(R)-(2,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171289581
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
2,6-diiodo-4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171296503

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171287676) is 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine is FC(F)(F)Oc1ccc([C@H](c2cccnc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is DZHZNAQWWVWZDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)24-15-5-3-13(4-6-15)16(14-2-1-7-22-12-14)23-10-8-21-9-11-23/h1-7,12,16,21H,8-11H2/t16-/m1/s1.
What are the key properties of 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 337.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171287676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).