1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

C10H14F3N3 — CID 138667287

IUPAC1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCN1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H14F3N3/c1-15-4-2-9(3-5-15)16-7-8(6-14-16)10(11,12)13/h6-7,9H,2-5H2,1H3
InChIKeyKNYXUHZGAQUIHF-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.17
Rot. Bonds1

About 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 138667287) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID138667287
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCN1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H14F3N3/c1-15-4-2-9(3-5-15)16-7-8(6-14-16)10(11,12)13/h6-7,9H,2-5H2,1H3
InChIKeyKNYXUHZGAQUIHF-UHFFFAOYSA-N
XLogP2.17
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 138667287) is 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is CN1CCC(n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is KNYXUHZGAQUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-15-4-2-9(3-5-15)16-7-8(6-14-16)10(11,12)13/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 138667287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).