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

C11H19N3 — CID 121407190

IUPAC1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCN1CCC(Cc2cnn(C)c2)CC1
InChIInChI=1S/C11H19N3/c1-13-5-3-10(4-6-13)7-11-8-12-14(2)9-11/h8-10H,3-7H2,1-2H3
InChIKeyNLSCWKUTXVWEDT-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.30
Rot. Bonds2

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

1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 121407190) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID121407190
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCN1CCC(Cc2cnn(C)c2)CC1
InChIInChI=1S/C11H19N3/c1-13-5-3-10(4-6-13)7-11-8-12-14(2)9-11/h8-10H,3-7H2,1-2H3
InChIKeyNLSCWKUTXVWEDT-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
CID 64508030
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778140
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133342054
5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133349405
cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97319161
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
CID 163390202
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 121407190) is 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine is CN1CCC(Cc2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is NLSCWKUTXVWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-5-3-10(4-6-13)7-11-8-12-14(2)9-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine?
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 121407190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).