[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C13H22N4O3 — CID 107499533

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNCCn1cnc(C(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C13H22N4O3/c14-3-6-16-9-12(15-10-16)13(19)17-4-1-11(2-5-17)20-8-7-18/h9-11,18H,1-8,14H2
InChIKeyRNIDMZOBPNTBAE-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.54
Rot. Bonds6

About [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 107499533) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID107499533
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNCCn1cnc(C(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C13H22N4O3/c14-3-6-16-9-12(15-10-16)13(19)17-4-1-11(2-5-17)20-8-7-18/h9-11,18H,1-8,14H2
InChIKeyRNIDMZOBPNTBAE-UHFFFAOYSA-N
XLogP-0.54
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 107498501
4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 107497233
2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107499557
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 82691427
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
[1-(2-aminoethyl)imidazol-4-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172299
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 107498462
(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82691902
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 107499533) is [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is NCCn1cnc(C(=O)N2CCC(OCCO)CC2)c1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is RNIDMZOBPNTBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-3-6-16-9-12(15-10-16)13(19)17-4-1-11(2-5-17)20-8-7-18/h9-11,18H,1-8,14H2.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 282.34 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 107499533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).