3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine

C13H24N4 — CID 114526097

IUPAC3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
SMILESCCC1CN(CCc2nccn2C)CCC1N
InChIInChI=1S/C13H24N4/c1-3-11-10-17(7-4-12(11)14)8-5-13-15-6-9-16(13)2/h6,9,11-12H,3-5,7-8,10,14H2,1-2H3
InChIKeyDCMACTGHUCJJMY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.02
Rot. Bonds4

About 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine

3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine (PubChem CID 114526097) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
PubChem CID114526097
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
SMILESCCC1CN(CCc2nccn2C)CCC1N
InChIInChI=1S/C13H24N4/c1-3-11-10-17(7-4-12(11)14)8-5-13-15-6-9-16(13)2/h6,9,11-12H,3-5,7-8,10,14H2,1-2H3
InChIKeyDCMACTGHUCJJMY-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

3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
CID 102959658
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 81459742
2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
CID 114531807
3-ethyl-1-(3-methylbutyl)piperidin-4-amine
CID 81457708
3-ethyl-1-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 81459970
1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 134698250
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
3-ethyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 81460442
1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899618
methanamine;1-methyl-2-propylimidazole
CID 164902083

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine (CID 114526097) is 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine is CCC1CN(CCc2nccn2C)CCC1N.
What is the InChIKey of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
The InChIKey is DCMACTGHUCJJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-11-10-17(7-4-12(11)14)8-5-13-15-6-9-16(13)2/h6,9,11-12H,3-5,7-8,10,14H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine 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 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 114526097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).