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

C13H24N4 — CID 102999214

IUPAC1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CCc2ccnn2C)CC1
InChIInChI=1S/C13H24N4/c1-11(14)12-4-8-17(9-5-12)10-6-13-3-7-15-16(13)2/h3,7,11-12H,4-6,8-10,14H2,1-2H3
InChIKeyNDGWITNCWDRDHY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.02
Rot. Bonds4

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

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine (PubChem CID 102999214) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
PubChem CID102999214
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CCc2ccnn2C)CC1
InChIInChI=1S/C13H24N4/c1-11(14)12-4-8-17(9-5-12)10-6-13-3-7-15-16(13)2/h3,7,11-12H,4-6,8-10,14H2,1-2H3
InChIKeyNDGWITNCWDRDHY-UHFFFAOYSA-N
XLogP1.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 113499860
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015382
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carbothioamide
CID 103002658

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine (CID 102999214) is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(CCc2ccnn2C)CC1.
What is the InChIKey of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine?
The InChIKey is NDGWITNCWDRDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(14)12-4-8-17(9-5-12)10-6-13-3-7-15-16(13)2/h3,7,11-12H,4-6,8-10,14H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine?
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 102999214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).