1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine

C15H22F3N3O — CID 126752868

IUPAC1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C15H22F3N3O/c1-12(2)21-7-5-20(6-8-21)10-13-3-4-14(19-9-13)22-11-15(16,17)18/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyIPASLHXRHYGJHT-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.55
Rot. Bonds5

About 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine

1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine (PubChem CID 126752868) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
PubChem CID126752868
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C15H22F3N3O/c1-12(2)21-7-5-20(6-8-21)10-13-3-4-14(19-9-13)22-11-15(16,17)18/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyIPASLHXRHYGJHT-UHFFFAOYSA-N
XLogP2.55
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide
CID 97232371
1-ethyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111393771
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
N'-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378308
2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole
CID 45377227
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 174609667
3-methylsulfanyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 142326740
2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol
CID 174765316
(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine
CID 96542411
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine (CID 126752868) is 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine is CC(C)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
The InChIKey is IPASLHXRHYGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-12(2)21-7-5-20(6-8-21)10-13-3-4-14(19-9-13)22-11-15(16,17)18/h3-4,9,12H,5-8,10-11H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine has a molecular weight of 317.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 126752868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).