1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine

C13H24N4 — CID 104694957

IUPAC1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NCCc2ccnn2C)CC1
InChIInChI=1S/C13H24N4/c1-3-17-10-6-12(7-11-17)14-8-4-13-5-9-15-16(13)2/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3
InChIKeyQAYCPEHXVQLDAA-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.04
Rot. Bonds5

About 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine

1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 104694957) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
PubChem CID104694957
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NCCc2ccnn2C)CC1
InChIInChI=1S/C13H24N4/c1-3-17-10-6-12(7-11-17)14-8-4-13-5-9-15-16(13)2/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3
InChIKeyQAYCPEHXVQLDAA-UHFFFAOYSA-N
XLogP1.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550
4-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]phenol
CID 61239241
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
3-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylcyclopentan-1-amine
CID 103015900

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine (CID 104694957) is 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine is CCN1CCC(NCCc2ccnn2C)CC1.
What is the InChIKey of 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is QAYCPEHXVQLDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17-10-6-12(7-11-17)14-8-4-13-5-9-15-16(13)2/h5,9,12,14H,3-4,6-8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine?
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 104694957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).