2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine

C11H19N3 — CID 106778140

IUPAC2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCC1CC(Cc2cnn(C)c2)CCN1
InChIInChI=1S/C11H19N3/c1-9-5-10(3-4-12-9)6-11-7-13-14(2)8-11/h7-10,12H,3-6H2,1-2H3
InChIKeyXFWFRQBVSDDJLG-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine

2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 106778140) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID106778140
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCC1CC(Cc2cnn(C)c2)CCN1
InChIInChI=1S/C11H19N3/c1-9-5-10(3-4-12-9)6-11-7-13-14(2)8-11/h7-10,12H,3-6H2,1-2H3
InChIKeyXFWFRQBVSDDJLG-UHFFFAOYSA-N
XLogP1.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
CID 64508030
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778148
2-methyl-4-[(4-methylphenyl)methyl]piperidine
CID 106777755
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739794
2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 106780031
1-methyl-4-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 62371587
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
CID 64910348
3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016758
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 106778140) is 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine is CC1CC(Cc2cnn(C)c2)CCN1.
What is the InChIKey of 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is XFWFRQBVSDDJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-5-10(3-4-12-9)6-11-7-13-14(2)8-11/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 106778140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).