(3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol

C11H19N3O — CID 66118615

IUPAC(3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol
SMILESCC1CCNC(C(O)c2cncn2C)C1
InChIInChI=1S/C11H19N3O/c1-8-3-4-13-9(5-8)11(15)10-6-12-7-14(10)2/h6-9,11,13,15H,3-5H2,1-2H3
InChIKeyDHPJWEVDXKYXBC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.84
Rot. Bonds2

About (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol

(3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol (PubChem CID 66118615) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol
PubChem CID66118615
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol
SMILESCC1CCNC(C(O)c2cncn2C)C1
InChIInChI=1S/C11H19N3O/c1-8-3-4-13-9(5-8)11(15)10-6-12-7-14(10)2/h6-9,11,13,15H,3-5H2,1-2H3
InChIKeyDHPJWEVDXKYXBC-UHFFFAOYSA-N
XLogP0.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol?
The IUPAC name of (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol (CID 66118615) is (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol is CC1CCNC(C(O)c2cncn2C)C1.
What is the InChIKey of (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol?
The InChIKey is DHPJWEVDXKYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-3-4-13-9(5-8)11(15)10-6-12-7-14(10)2/h6-9,11,13,15H,3-5H2,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol?
(3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol has a molecular weight of 209.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(4-methylpiperidin-2-yl)methanol is sourced from PubChem (CID 66118615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).