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

C13H23N3 — CID 62357214

IUPAC3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
SMILESCc1nn(CCC2CCCNC2)c(C)c1C
InChIInChI=1S/C13H23N3/c1-10-11(2)15-16(12(10)3)8-6-13-5-4-7-14-9-13/h13-14H,4-9H2,1-3H3
InChIKeyAXRVJPPGBCLTMG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.20
Rot. Bonds3

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

3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine (PubChem CID 62357214) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
PubChem CID62357214
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
SMILESCc1nn(CCC2CCCNC2)c(C)c1C
InChIInChI=1S/C13H23N3/c1-10-11(2)15-16(12(10)3)8-6-13-5-4-7-14-9-13/h13-14H,4-9H2,1-3H3
InChIKeyAXRVJPPGBCLTMG-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 62922662
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 105061827
1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole
CID 83858637
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
CID 105478412
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide
CID 63757545
4-methyl-2-(2-pyrrolidin-3-ylethyl)-1,2,4-triazol-3-one
CID 130987404
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709
3-methyl-1-(2-piperidin-3-ylethyl)-4-propylimidazolidin-2-one
CID 116982765

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine (CID 62357214) is 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine is Cc1nn(CCC2CCCNC2)c(C)c1C.
What is the InChIKey of 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine?
The InChIKey is AXRVJPPGBCLTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-11(2)15-16(12(10)3)8-6-13-5-4-7-14-9-13/h13-14H,4-9H2,1-3H3.
What are the key properties of 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine?
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 62357214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).