2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine

C13H23N3 — CID 116686145

IUPAC2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine
SMILESCc1nn(C)cc1CCC1CC(C)CCN1
InChIInChI=1S/C13H23N3/c1-10-6-7-14-13(8-10)5-4-12-9-16(3)15-11(12)2/h9-10,13-14H,4-8H2,1-3H3
InChIKeyPQLQHNIJMMMDTN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.05
Rot. Bonds3

About 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine

2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine (PubChem CID 116686145) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine
PubChem CID116686145
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine
SMILESCc1nn(C)cc1CCC1CC(C)CCN1
InChIInChI=1S/C13H23N3/c1-10-6-7-14-13(8-10)5-4-12-9-16(3)15-11(12)2/h9-10,13-14H,4-8H2,1-3H3
InChIKeyPQLQHNIJMMMDTN-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-2H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine dihydrochloride
CID 45789686
1-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine
CID 50873898
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine?
The IUPAC name of 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine (CID 116686145) is 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine.
What is the SMILES notation for 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine?
The canonical SMILES for 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine is Cc1nn(C)cc1CCC1CC(C)CCN1.
What is the InChIKey of 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine?
The InChIKey is PQLQHNIJMMMDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-6-7-14-13(8-10)5-4-12-9-16(3)15-11(12)2/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine?
2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine is sourced from PubChem (CID 116686145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).