1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C17H18F3N3O — CID 154829029

IUPAC1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCOc1cccc(N2CCN(c3ncccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C17H18F3N3O/c1-24-14-5-2-4-13(12-14)22-8-10-23(11-9-22)16-15(17(18,19)20)6-3-7-21-16/h2-7,12H,8-11H2,1H3
InChIKeyPBGBGYGZQJRWDU-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.44
Rot. Bonds3

About 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 154829029) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID154829029
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCOc1cccc(N2CCN(c3ncccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C17H18F3N3O/c1-24-14-5-2-4-13(12-14)22-8-10-23(11-9-22)16-15(17(18,19)20)6-3-7-21-16/h2-7,12H,8-11H2,1H3
InChIKeyPBGBGYGZQJRWDU-UHFFFAOYSA-N
XLogP3.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
N-(3-methoxyphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 11656486
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3622381
3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 171997761
1-(3-methoxyphenyl)azepane
CID 57276431
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43808214

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 154829029) is 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is COc1cccc(N2CCN(c3ncccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is PBGBGYGZQJRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-24-14-5-2-4-13(12-14)22-8-10-23(11-9-22)16-15(17(18,19)20)6-3-7-21-16/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 337.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 154829029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).