2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine

C16H30N4O — CID 106552704

IUPAC2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2nc(C)cn2C(C)COC)CC1
InChIInChI=1S/C16H30N4O/c1-13-11-20(14(2)12-21-4)16(18-13)19-9-6-15(7-10-19)5-8-17-3/h11,14-15,17H,5-10,12H2,1-4H3
InChIKeyCFTWCULEAXDYTF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.22
Rot. Bonds7

About 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine

2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine (PubChem CID 106552704) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine
PubChem CID106552704
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2nc(C)cn2C(C)COC)CC1
InChIInChI=1S/C16H30N4O/c1-13-11-20(14(2)12-21-4)16(18-13)19-9-6-15(7-10-19)5-8-17-3/h11,14-15,17H,5-10,12H2,1-4H3
InChIKeyCFTWCULEAXDYTF-UHFFFAOYSA-N
XLogP2.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine
CID 106552035
1-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
CID 106553545
1-[4-ethyl-1-(1-methoxypropan-2-yl)imidazol-2-yl]-N,4-dimethylpiperidin-4-amine
CID 106553304
N-(4-ethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564307
1-[4-ethyl-1-(1-methoxypropan-2-yl)imidazol-2-yl]-N-methylpiperidin-3-amine
CID 106552534
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
4-bromo-5-[4-[2-(methylamino)ethyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 114445508
N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574577
N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 115975402
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106571299
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine (CID 106552704) is 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(c2nc(C)cn2C(C)COC)CC1.
What is the InChIKey of 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is CFTWCULEAXDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13-11-20(14(2)12-21-4)16(18-13)19-9-6-15(7-10-19)5-8-17-3/h11,14-15,17H,5-10,12H2,1-4H3.
What are the key properties of 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine?
2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 294.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 106552704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).