2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine

C13H24N4 — CID 62126920

IUPAC2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCn1cc(CN2CCC(CCN)CC2)cn1
InChIInChI=1S/C13H24N4/c1-2-17-11-13(9-15-17)10-16-7-4-12(3-6-14)5-8-16/h9,11-12H,2-8,10,14H2,1H3
InChIKeyAKRBBXOWYIWGJP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 62126920) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID62126920
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCn1cc(CN2CCC(CCN)CC2)cn1
InChIInChI=1S/C13H24N4/c1-2-17-11-13(9-15-17)10-16-7-4-12(3-6-14)5-8-16/h9,11-12H,2-8,10,14H2,1H3
InChIKeyAKRBBXOWYIWGJP-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 103572299
2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830712
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
CID 62125988
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62127131
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
CID 63336434
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine (CID 62126920) is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine is CCn1cc(CN2CCC(CCN)CC2)cn1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is AKRBBXOWYIWGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-17-11-13(9-15-17)10-16-7-4-12(3-6-14)5-8-16/h9,11-12H,2-8,10,14H2,1H3.
What are the key properties of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 62126920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).