1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine

C12H21N3 — CID 176692221

IUPAC1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine
SMILESCc1nn(C)c(C)c1C1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-9-12(10(2)15(4)13-9)11-5-7-14(3)8-6-11/h11H,5-8H2,1-4H3
InChIKeyTZAKJNTZFCAUKM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.85
Rot. Bonds1

About 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine

1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine (PubChem CID 176692221) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine
PubChem CID176692221
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine
SMILESCc1nn(C)c(C)c1C1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-9-12(10(2)15(4)13-9)11-5-7-14(3)8-6-11/h11H,5-8H2,1-4H3
InChIKeyTZAKJNTZFCAUKM-UHFFFAOYSA-N
XLogP1.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine?
The IUPAC name of 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine (CID 176692221) is 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine is Cc1nn(C)c(C)c1C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine?
The InChIKey is TZAKJNTZFCAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-12(10(2)15(4)13-9)11-5-7-14(3)8-6-11/h11H,5-8H2,1-4H3.
What are the key properties of 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine?
1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine is sourced from PubChem (CID 176692221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).