(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol

C15H20N4O — CID 133384569

IUPAC(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C15H20N4O/c1-18-10-8-17-15(18)14(20)12-5-4-9-19(11-12)13-6-2-3-7-16-13/h2-3,6-8,10,12,14,20H,4-5,9,11H2,1H3
InChIKeyJQNGGKHRVAEEEF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.77
Rot. Bonds3

About (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol

(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol (PubChem CID 133384569) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
PubChem CID133384569
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C15H20N4O/c1-18-10-8-17-15(18)14(20)12-5-4-9-19(11-12)13-6-2-3-7-16-13/h2-3,6-8,10,12,14,20H,4-5,9,11H2,1H3
InChIKeyJQNGGKHRVAEEEF-UHFFFAOYSA-N
XLogP1.77
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol (CID 133384569) is (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol is Cn1ccnc1C(O)C1CCCN(c2ccccn2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol?
The InChIKey is JQNGGKHRVAEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-10-8-17-15(18)14(20)12-5-4-9-19(11-12)13-6-2-3-7-16-13/h2-3,6-8,10,12,14,20H,4-5,9,11H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol?
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol has a molecular weight of 272.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol is sourced from PubChem (CID 133384569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).