2-imidazol-1-yl-1-propylpiperidin-3-ol

C11H19N3O — CID 135304215

IUPAC2-imidazol-1-yl-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)C1n1ccnc1
InChIInChI=1S/C11H19N3O/c1-2-6-13-7-3-4-10(15)11(13)14-8-5-12-9-14/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyLSHZTMQGOOMGEY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds3

About 2-imidazol-1-yl-1-propylpiperidin-3-ol

2-imidazol-1-yl-1-propylpiperidin-3-ol (PubChem CID 135304215) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-propylpiperidin-3-ol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-propylpiperidin-3-ol
PubChem CID135304215
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-imidazol-1-yl-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)C1n1ccnc1
InChIInChI=1S/C11H19N3O/c1-2-6-13-7-3-4-10(15)11(13)14-8-5-12-9-14/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyLSHZTMQGOOMGEY-UHFFFAOYSA-N
XLogP1.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-propylpiperidin-3-ol?
The IUPAC name of 2-imidazol-1-yl-1-propylpiperidin-3-ol (CID 135304215) is 2-imidazol-1-yl-1-propylpiperidin-3-ol.
What is the SMILES notation for 2-imidazol-1-yl-1-propylpiperidin-3-ol?
The canonical SMILES for 2-imidazol-1-yl-1-propylpiperidin-3-ol is CCCN1CCCC(O)C1n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-propylpiperidin-3-ol?
The InChIKey is LSHZTMQGOOMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-6-13-7-3-4-10(15)11(13)14-8-5-12-9-14/h5,8-11,15H,2-4,6-7H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-propylpiperidin-3-ol?
2-imidazol-1-yl-1-propylpiperidin-3-ol has a molecular weight of 209.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-propylpiperidin-3-ol is sourced from PubChem (CID 135304215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).