3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine

C15H26N4O — CID 106553104

IUPAC3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
SMILESC=CCn1cc(C)nc1N1CCC(OCCCN)CC1
InChIInChI=1S/C15H26N4O/c1-3-8-19-12-13(2)17-15(19)18-9-5-14(6-10-18)20-11-4-7-16/h3,12,14H,1,4-11,16H2,2H3
InChIKeyGTWDKAROEHRGAE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.71
Rot. Bonds7

About 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine

3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 106553104) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
PubChem CID106553104
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
SMILESC=CCn1cc(C)nc1N1CCC(OCCCN)CC1
InChIInChI=1S/C15H26N4O/c1-3-8-19-12-13(2)17-15(19)18-9-5-14(6-10-18)20-11-4-7-16/h3,12,14H,1,4-11,16H2,2H3
InChIKeyGTWDKAROEHRGAE-UHFFFAOYSA-N
XLogP1.71
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553112
1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine
CID 106552601
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553383
3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 115355389
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 79731898
[1-(4-methyl-1-propylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552287
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076
3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 79737038
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
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-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine (CID 106553104) is 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine is C=CCn1cc(C)nc1N1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is GTWDKAROEHRGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-19-12-13(2)17-15(19)18-9-5-14(6-10-18)20-11-4-7-16/h3,12,14H,1,4-11,16H2,2H3.
What are the key properties of 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 106553104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).