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

C11H19N3 — CID 70661040

IUPAC1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
SMILESCc1cnn(CC2CCN(C)CC2)c1
InChIInChI=1S/C11H19N3/c1-10-7-12-14(8-10)9-11-3-5-13(2)6-4-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyWWRMGTKLUAWFTG-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.53
Rot. Bonds2

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

1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine (PubChem CID 70661040) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
PubChem CID70661040
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
SMILESCc1cnn(CC2CCN(C)CC2)c1
InChIInChI=1S/C11H19N3/c1-10-7-12-14(8-10)9-11-3-5-13(2)6-4-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyWWRMGTKLUAWFTG-UHFFFAOYSA-N
XLogP1.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
4-[(4-methylpyrazol-1-yl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidine
CID 166314468
(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72866375
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
CID 155739466
4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91830233
5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine
CID 72883353
[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752876
7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120848325
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine (CID 70661040) is 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine is Cc1cnn(CC2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
The InChIKey is WWRMGTKLUAWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-7-12-14(8-10)9-11-3-5-13(2)6-4-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 70661040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).