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

C13H24N4 — CID 55256485

IUPACN-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(c2nccn2C)CC1
InChIInChI=1S/C13H24N4/c1-4-14-11(2)12-5-8-17(9-6-12)13-15-7-10-16(13)3/h7,10-12,14H,4-6,8-9H2,1-3H3
InChIKeyLDYJBDSIAXIXKF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds4

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

N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 55256485) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine
PubChem CID55256485
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(c2nccn2C)CC1
InChIInChI=1S/C13H24N4/c1-4-14-11(2)12-5-8-17(9-6-12)13-15-7-10-16(13)3/h7,10-12,14H,4-6,8-9H2,1-3H3
InChIKeyLDYJBDSIAXIXKF-UHFFFAOYSA-N
XLogP1.63
TPSA33.09 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine (CID 55256485) is N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine is CCNC(C)C1CCN(c2nccn2C)CC1.
What is the InChIKey of N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is LDYJBDSIAXIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-14-11(2)12-5-8-17(9-6-12)13-15-7-10-16(13)3/h7,10-12,14H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine?
N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 55256485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).