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

C13H24N4 — CID 54961313

IUPACN-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine
SMILESCCN(CCn1ccnc1C)C1CCNCC1
InChIInChI=1S/C13H24N4/c1-3-16(13-4-6-14-7-5-13)10-11-17-9-8-15-12(17)2/h8-9,13-14H,3-7,10-11H2,1-2H3
InChIKeyGAAIYRBQOIXOCO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.27
Rot. Bonds5

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

N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine (PubChem CID 54961313) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine
PubChem CID54961313
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine
SMILESCCN(CCn1ccnc1C)C1CCNCC1
InChIInChI=1S/C13H24N4/c1-3-16(13-4-6-14-7-5-13)10-11-17-9-8-15-12(17)2/h8-9,13-14H,3-7,10-11H2,1-2H3
InChIKeyGAAIYRBQOIXOCO-UHFFFAOYSA-N
XLogP1.27
TPSA33.09 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine (CID 54961313) is N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine is CCN(CCn1ccnc1C)C1CCNCC1.
What is the InChIKey of N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine?
The InChIKey is GAAIYRBQOIXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-16(13-4-6-14-7-5-13)10-11-17-9-8-15-12(17)2/h8-9,13-14H,3-7,10-11H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine?
N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 54961313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).