3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine

C15H28N4 — CID 81458250

IUPAC3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCCC1CN(C(C)c2c(C)nn(C)c2C)CCC1N
InChIInChI=1S/C15H28N4/c1-6-13-9-19(8-7-14(13)16)12(4)15-10(2)17-18(5)11(15)3/h12-14H,6-9,16H2,1-5H3
InChIKeyKQOGQLZUOAOTSR-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.16
Rot. Bonds3

About 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine

3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 81458250) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine
PubChem CID81458250
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCCC1CN(C(C)c2c(C)nn(C)c2C)CCC1N
InChIInChI=1S/C15H28N4/c1-6-13-9-19(8-7-14(13)16)12(4)15-10(2)17-18(5)11(15)3/h12-14H,6-9,16H2,1-5H3
InChIKeyKQOGQLZUOAOTSR-UHFFFAOYSA-N
XLogP2.16
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975656
3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81457622
3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
CID 81458622
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
CID 103440773
6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678460
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210034
1-(1-cyclopropylpropyl)-3-ethylpiperidin-4-amine
CID 81457966
N-methyl-1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 113285223
3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 83930084
3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
CID 81459571
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
CID 81451585

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine (CID 81458250) is 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine is CCC1CN(C(C)c2c(C)nn(C)c2C)CCC1N.
What is the InChIKey of 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is KQOGQLZUOAOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-13-9-19(8-7-14(13)16)12(4)15-10(2)17-18(5)11(15)3/h12-14H,6-9,16H2,1-5H3.
What are the key properties of 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine?
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 81458250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).