3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol

C13H23N3O2 — CID 74231267

IUPAC3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol
SMILESCc1nccn1CC1CCN(CC(O)CO)CC1
InChIInChI=1S/C13H23N3O2/c1-11-14-4-7-16(11)8-12-2-5-15(6-3-12)9-13(18)10-17/h4,7,12-13,17-18H,2-3,5-6,8-10H2,1H3
InChIKeyBHCJVSNMMNAXQT-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds5

About 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol

3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol (PubChem CID 74231267) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol
PubChem CID74231267
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol
SMILESCc1nccn1CC1CCN(CC(O)CO)CC1
InChIInChI=1S/C13H23N3O2/c1-11-14-4-7-16(11)8-12-2-5-15(6-3-12)9-13(18)10-17/h4,7,12-13,17-18H,2-3,5-6,8-10H2,1H3
InChIKeyBHCJVSNMMNAXQT-UHFFFAOYSA-N
XLogP0.26
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol (CID 74231267) is 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol is Cc1nccn1CC1CCN(CC(O)CO)CC1.
What is the InChIKey of 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol?
The InChIKey is BHCJVSNMMNAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11-14-4-7-16(11)8-12-2-5-15(6-3-12)9-13(18)10-17/h4,7,12-13,17-18H,2-3,5-6,8-10H2,1H3.
What are the key properties of 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol?
3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol has a molecular weight of 253.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 74231267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).