1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine

C11H21N3 — CID 91375712

IUPAC1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine
SMILESCCN1CCC(N2CCC(C)=N2)CC1
InChIInChI=1S/C11H21N3/c1-3-13-7-5-11(6-8-13)14-9-4-10(2)12-14/h11H,3-9H2,1-2H3
InChIKeyMKRGMQXNJYHKSI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.55
Rot. Bonds2

About 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine

1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine (PubChem CID 91375712) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine
PubChem CID91375712
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine
SMILESCCN1CCC(N2CCC(C)=N2)CC1
InChIInChI=1S/C11H21N3/c1-3-13-7-5-11(6-8-13)14-9-4-10(2)12-14/h11H,3-9H2,1-2H3
InChIKeyMKRGMQXNJYHKSI-UHFFFAOYSA-N
XLogP1.55
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine?
The IUPAC name of 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine (CID 91375712) is 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine is CCN1CCC(N2CCC(C)=N2)CC1.
What is the InChIKey of 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine?
The InChIKey is MKRGMQXNJYHKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-13-7-5-11(6-8-13)14-9-4-10(2)12-14/h11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine?
1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine has a molecular weight of 195.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)piperidine is sourced from PubChem (CID 91375712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).