2-methyl-1-(2-pyrazol-1-ylethyl)piperidine

C11H19N3 — CID 91623585

IUPAC2-methyl-1-(2-pyrazol-1-ylethyl)piperidine
SMILESCC1CCCCN1CCn1cccn1
InChIInChI=1S/C11H19N3/c1-11-5-2-3-7-13(11)9-10-14-8-4-6-12-14/h4,6,8,11H,2-3,5,7,9-10H2,1H3
InChIKeyDNOBZZSWTGZNDU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine

2-methyl-1-(2-pyrazol-1-ylethyl)piperidine (PubChem CID 91623585) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine.

Molecular Properties

Compound Name2-methyl-1-(2-pyrazol-1-ylethyl)piperidine
PubChem CID91623585
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-methyl-1-(2-pyrazol-1-ylethyl)piperidine
SMILESCC1CCCCN1CCn1cccn1
InChIInChI=1S/C11H19N3/c1-11-5-2-3-7-13(11)9-10-14-8-4-6-12-14/h4,6,8,11H,2-3,5,7,9-10H2,1H3
InChIKeyDNOBZZSWTGZNDU-UHFFFAOYSA-N
XLogP1.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine?
The IUPAC name of 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine (CID 91623585) is 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine.
What is the SMILES notation for 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine?
The canonical SMILES for 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine is CC1CCCCN1CCn1cccn1.
What is the InChIKey of 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine?
The InChIKey is DNOBZZSWTGZNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11-5-2-3-7-13(11)9-10-14-8-4-6-12-14/h4,6,8,11H,2-3,5,7,9-10H2,1H3.
What are the key properties of 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine?
2-methyl-1-(2-pyrazol-1-ylethyl)piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyrazol-1-ylethyl)piperidine is sourced from PubChem (CID 91623585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).