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

C13H24N4O — CID 114707688

IUPAC2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
SMILESCN1CCC(CCn2cncc2C(N)CO)CC1
InChIInChI=1S/C13H24N4O/c1-16-5-2-11(3-6-16)4-7-17-10-15-8-13(17)12(14)9-18/h8,10-12,18H,2-7,9,14H2,1H3
InChIKeyJUJOZUSTLHRBBM-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.61
Rot. Bonds5

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

2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol (PubChem CID 114707688) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
PubChem CID114707688
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
SMILESCN1CCC(CCn2cncc2C(N)CO)CC1
InChIInChI=1S/C13H24N4O/c1-16-5-2-11(3-6-16)4-7-17-10-15-8-13(17)12(14)9-18/h8,10-12,18H,2-7,9,14H2,1H3
InChIKeyJUJOZUSTLHRBBM-UHFFFAOYSA-N
XLogP0.61
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol (CID 114707688) is 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol is CN1CCC(CCn2cncc2C(N)CO)CC1.
What is the InChIKey of 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol?
The InChIKey is JUJOZUSTLHRBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16-5-2-11(3-6-16)4-7-17-10-15-8-13(17)12(14)9-18/h8,10-12,18H,2-7,9,14H2,1H3.
What are the key properties of 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol?
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 114707688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).