1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine

C15H28N4 — CID 66133818

IUPAC1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2cncn2CC)CC1
InChIInChI=1S/C15H28N4/c1-3-5-8-18-9-6-14(7-10-18)17-12-15-11-16-13-19(15)4-2/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyBIVBSXJXWFOWGP-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.26
Rot. Bonds7

About 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine

1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 66133818) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID66133818
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2cncn2CC)CC1
InChIInChI=1S/C15H28N4/c1-3-5-8-18-9-6-14(7-10-18)17-12-15-11-16-13-19(15)4-2/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyBIVBSXJXWFOWGP-UHFFFAOYSA-N
XLogP2.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine (CID 66133818) is 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine is CCCCN1CCC(NCc2cncn2CC)CC1.
What is the InChIKey of 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is BIVBSXJXWFOWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-5-8-18-9-6-14(7-10-18)17-12-15-11-16-13-19(15)4-2/h11,13-14,17H,3-10,12H2,1-2H3.
What are the key properties of 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine?
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 66133818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).