2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

C15H26N4O — CID 102964895

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2cncn2C2CC2)CCC1C
InChIInChI=1S/C15H26N4O/c1-11-5-6-18(9-15(11)20-2)13(7-16)14-8-17-10-19(14)12-3-4-12/h8,10-13,15H,3-7,9,16H2,1-2H3
InChIKeyVJSFFBMBLDVIFX-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.57
Rot. Bonds5

About 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (PubChem CID 102964895) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
PubChem CID102964895
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2cncn2C2CC2)CCC1C
InChIInChI=1S/C15H26N4O/c1-11-5-6-18(9-15(11)20-2)13(7-16)14-8-17-10-19(14)12-3-4-12/h8,10-13,15H,3-7,9,16H2,1-2H3
InChIKeyVJSFFBMBLDVIFX-UHFFFAOYSA-N
XLogP1.57
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (CID 102964895) is 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is COC1CN(C(CN)c2cncn2C2CC2)CCC1C.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is VJSFFBMBLDVIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-5-6-18(9-15(11)20-2)13(7-16)14-8-17-10-19(14)12-3-4-12/h8,10-13,15H,3-7,9,16H2,1-2H3.
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 102964895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).