1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine

C19H24F3N3 — CID 56878396

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCn1cc(CN2CCCC(CCc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H24F3N3/c1-24-12-17(11-23-24)14-25-9-3-5-16(13-25)8-7-15-4-2-6-18(10-15)19(20,21)22/h2,4,6,10-12,16H,3,5,7-9,13-14H2,1H3
InChIKeyXVFUGIGYAPVJHG-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.28
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine

1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 56878396) has the molecular formula C19H24F3N3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID56878396
Molecular FormulaC19H24F3N3
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCn1cc(CN2CCCC(CCc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H24F3N3/c1-24-12-17(11-23-24)14-25-9-3-5-16(13-25)8-7-15-4-2-6-18(10-15)19(20,21)22/h2,4,6,10-12,16H,3,5,7-9,13-14H2,1H3
InChIKeyXVFUGIGYAPVJHG-UHFFFAOYSA-N
XLogP4.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (CID 56878396) is 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is Cn1cc(CN2CCCC(CCc3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is XVFUGIGYAPVJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3/c1-24-12-17(11-23-24)14-25-9-3-5-16(13-25)8-7-15-4-2-6-18(10-15)19(20,21)22/h2,4,6,10-12,16H,3,5,7-9,13-14H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 351.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 56878396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).