2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol

C12H22N4O — CID 114704740

IUPAC2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol
SMILESCCN1CCCC(n2cncc2C(N)CO)C1
InChIInChI=1S/C12H22N4O/c1-2-15-5-3-4-10(7-15)16-9-14-6-12(16)11(13)8-17/h6,9-11,17H,2-5,7-8,13H2,1H3
InChIKeyVVAFHZVPLXUOTJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds4

About 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol

2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol (PubChem CID 114704740) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol
PubChem CID114704740
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol
SMILESCCN1CCCC(n2cncc2C(N)CO)C1
InChIInChI=1S/C12H22N4O/c1-2-15-5-3-4-10(7-15)16-9-14-6-12(16)11(13)8-17/h6,9-11,17H,2-5,7-8,13H2,1H3
InChIKeyVVAFHZVPLXUOTJ-UHFFFAOYSA-N
XLogP0.53
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
CID 114704961
(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine
CID 104942372
2-amino-2-[3-(3-methylcyclobutyl)imidazol-4-yl]ethanol
CID 114707600
N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66149040
4-amino-3-(3-cyclopropylimidazol-4-yl)pentan-1-ol
CID 66140672
(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine
CID 104941648
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]morpholine
CID 114718728
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole
CID 141100460
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
2-amino-2-[3-(1-cyclopropylethyl)imidazol-4-yl]ethanol
CID 114704070

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol (CID 114704740) is 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol is CCN1CCCC(n2cncc2C(N)CO)C1.
What is the InChIKey of 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol?
The InChIKey is VVAFHZVPLXUOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-15-5-3-4-10(7-15)16-9-14-6-12(16)11(13)8-17/h6,9-11,17H,2-5,7-8,13H2,1H3.
What are the key properties of 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol?
2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114704740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).