3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine

C14H26N4 — CID 81457622

IUPAC3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCCC1CN(C(C)c2cnn(CC)c2)CCC1N
InChIInChI=1S/C14H26N4/c1-4-12-9-17(7-6-14(12)15)11(3)13-8-16-18(5-2)10-13/h8,10-12,14H,4-7,9,15H2,1-3H3
InChIKeyAONMALKOLBGCBM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds4

About 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine

3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 81457622) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
PubChem CID81457622
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCCC1CN(C(C)c2cnn(CC)c2)CCC1N
InChIInChI=1S/C14H26N4/c1-4-12-9-17(7-6-14(12)15)11(3)13-8-16-18(5-2)10-13/h8,10-12,14H,4-7,9,15H2,1-3H3
InChIKeyAONMALKOLBGCBM-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546798
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine
CID 65418314
3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
CID 81458622
3-ethyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine
CID 81456943
3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65065533
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
CID 63255319
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
3-[1-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 113284725
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975704
3-ethyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methylcyclopentan-1-amine
CID 64923128

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine (CID 81457622) is 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine is CCC1CN(C(C)c2cnn(CC)c2)CCC1N.
What is the InChIKey of 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is AONMALKOLBGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-12-9-17(7-6-14(12)15)11(3)13-8-16-18(5-2)10-13/h8,10-12,14H,4-7,9,15H2,1-3H3.
What are the key properties of 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine?
3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 81457622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).