1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol

C12H21N3O — CID 79743754

IUPAC1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
SMILESCn1ccnc1CC(C)(O)C1CCCNC1
InChIInChI=1S/C12H21N3O/c1-12(16,10-4-3-5-13-9-10)8-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3
InChIKeyVWDYGHVCMARADG-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.71
Rot. Bonds3

About 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol

1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol (PubChem CID 79743754) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
PubChem CID79743754
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
SMILESCn1ccnc1CC(C)(O)C1CCCNC1
InChIInChI=1S/C12H21N3O/c1-12(16,10-4-3-5-13-9-10)8-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3
InChIKeyVWDYGHVCMARADG-UHFFFAOYSA-N
XLogP0.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol (CID 79743754) is 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol is Cn1ccnc1CC(C)(O)C1CCCNC1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol?
The InChIKey is VWDYGHVCMARADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(16,10-4-3-5-13-9-10)8-11-14-6-7-15(11)2/h6-7,10,13,16H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol?
1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol is sourced from PubChem (CID 79743754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).