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

C11H19N3 — CID 106778148

IUPAC3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCC1CCCNC1Cc1cnn(C)c1
InChIInChI=1S/C11H19N3/c1-9-4-3-5-12-11(9)6-10-7-13-14(2)8-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyKNMNLRSRGMTLRU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds2

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

3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 106778148) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID106778148
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCC1CCCNC1Cc1cnn(C)c1
InChIInChI=1S/C11H19N3/c1-9-4-3-5-12-11(9)6-10-7-13-14(2)8-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyKNMNLRSRGMTLRU-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

3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107054729
2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778140
3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 106778627
2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine
CID 106778080
N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 129401167
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-2-one
CID 63258734
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 84734214

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 106778148) is 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine is CC1CCCNC1Cc1cnn(C)c1.
What is the InChIKey of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is KNMNLRSRGMTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-4-3-5-12-11(9)6-10-7-13-14(2)8-10/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine?
3-methyl-2-[(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 3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 106778148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).