3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine

C16H30N4O — CID 106553112

IUPAC3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
SMILESCCCn1cc(CC)nc1N1CCC(OCCCN)CC1
InChIInChI=1S/C16H30N4O/c1-3-9-20-13-14(4-2)18-16(20)19-10-6-15(7-11-19)21-12-5-8-17/h13,15H,3-12,17H2,1-2H3
InChIKeyXZPQUJNVIRMENE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.19
Rot. Bonds8

About 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine

3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 106553112) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
PubChem CID106553112
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
SMILESCCCn1cc(CC)nc1N1CCC(OCCCN)CC1
InChIInChI=1S/C16H30N4O/c1-3-9-20-13-14(4-2)18-16(20)19-10-6-15(7-11-19)21-12-5-8-17/h13,15H,3-12,17H2,1-2H3
InChIKeyXZPQUJNVIRMENE-UHFFFAOYSA-N
XLogP2.19
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553104
3-ethyl-1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-amine
CID 106553278
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
2-(4-butoxypiperidin-1-yl)-4-fluoro-1-methylbenzimidazole
CID 155947479
3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 115355389
1-(1-butyl-4-ethylimidazol-2-yl)-3-methylpiperidin-4-amine
CID 106552382
[1-(4-methyl-1-propylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552287
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794
[1-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552325
3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 79737038
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 119662595
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine (CID 106553112) is 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine is CCCn1cc(CC)nc1N1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is XZPQUJNVIRMENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-3-9-20-13-14(4-2)18-16(20)19-10-6-15(7-11-19)21-12-5-8-17/h13,15H,3-12,17H2,1-2H3.
What are the key properties of 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 106553112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).