4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine

C14H25N3 — CID 116686137

IUPAC4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine
SMILESCc1nn(C)c(C)c1CCC1CC(C)CCN1
InChIInChI=1S/C14H25N3/c1-10-7-8-15-13(9-10)5-6-14-11(2)16-17(4)12(14)3/h10,13,15H,5-9H2,1-4H3
InChIKeyKVTOEKTXKLNDMW-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.36
Rot. Bonds3

About 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine

4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine (PubChem CID 116686137) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine
PubChem CID116686137
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine
SMILESCc1nn(C)c(C)c1CCC1CC(C)CCN1
InChIInChI=1S/C14H25N3/c1-10-7-8-15-13(9-10)5-6-14-11(2)16-17(4)12(14)3/h10,13,15H,5-9H2,1-4H3
InChIKeyKVTOEKTXKLNDMW-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine
CID 116686145
1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155962
1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 106634107
1,3,4-trimethyl-5-(2-pyrrolidin-2-ylethyl)pyrazole
CID 83858638
2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]azepane
CID 113443139
N-ethyl-1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155988
1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 79242493
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 102779685
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine
CID 116686192
1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105152911

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine?
The IUPAC name of 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine (CID 116686137) is 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine?
The canonical SMILES for 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine is Cc1nn(C)c(C)c1CCC1CC(C)CCN1.
What is the InChIKey of 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine?
The InChIKey is KVTOEKTXKLNDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-7-8-15-13(9-10)5-6-14-11(2)16-17(4)12(14)3/h10,13,15H,5-9H2,1-4H3.
What are the key properties of 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine?
4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 116686137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).