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

C14H26N4 — CID 63255319

IUPAC1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCCn1cc(C(C)N2CCCCC2C(C)N)cn1
InChIInChI=1S/C14H26N4/c1-4-17-10-13(9-16-17)12(3)18-8-6-5-7-14(18)11(2)15/h9-12,14H,4-8,15H2,1-3H3
InChIKeyUHELITDRMWLCEM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds4

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

1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine (PubChem CID 63255319) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
PubChem CID63255319
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCCn1cc(C(C)N2CCCCC2C(C)N)cn1
InChIInChI=1S/C14H26N4/c1-4-17-10-13(9-16-17)12(3)18-8-6-5-7-14(18)11(2)15/h9-12,14H,4-8,15H2,1-3H3
InChIKeyUHELITDRMWLCEM-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
CID 63254747
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 104869108
3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81457622
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569643
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571938
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546798
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069578

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine (CID 63255319) is 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine is CCn1cc(C(C)N2CCCCC2C(C)N)cn1.
What is the InChIKey of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is UHELITDRMWLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-17-10-13(9-16-17)12(3)18-8-6-5-7-14(18)11(2)15/h9-12,14H,4-8,15H2,1-3H3.
What are the key properties of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine?
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).