2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine

C15H28N4O — CID 106586426

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
SMILESCOCC1CCCN(C(CN)c2cncn2C(C)C)C1
InChIInChI=1S/C15H28N4O/c1-12(2)19-11-17-8-15(19)14(7-16)18-6-4-5-13(9-18)10-20-3/h8,11-14H,4-7,9-10,16H2,1-3H3
InChIKeyWONOPKVMAMQJBG-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.82
Rot. Bonds6

About 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine

2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine (PubChem CID 106586426) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
PubChem CID106586426
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
SMILESCOCC1CCCN(C(CN)c2cncn2C(C)C)C1
InChIInChI=1S/C15H28N4O/c1-12(2)19-11-17-8-15(19)14(7-16)18-6-4-5-13(9-18)10-20-3/h8,11-14H,4-7,9-10,16H2,1-3H3
InChIKeyWONOPKVMAMQJBG-UHFFFAOYSA-N
XLogP1.82
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
CID 66163414
2-(4-methoxypiperidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163603
2-(2-methylmorpholin-4-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66162994
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66164793
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163612
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine (CID 106586426) is 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine is COCC1CCCN(C(CN)c2cncn2C(C)C)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The InChIKey is WONOPKVMAMQJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)19-11-17-8-15(19)14(7-16)18-6-4-5-13(9-18)10-20-3/h8,11-14H,4-7,9-10,16H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 106586426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).