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

C12H21N3O — CID 66117984

IUPAC(4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol
SMILESCCC1CCNC(C(O)c2cncn2C)C1
InChIInChI=1S/C12H21N3O/c1-3-9-4-5-14-10(6-9)12(16)11-7-13-8-15(11)2/h7-10,12,14,16H,3-6H2,1-2H3
InChIKeyHACANRXGLPJCKW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.23
Rot. Bonds3

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

(4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol (PubChem CID 66117984) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol
PubChem CID66117984
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol
SMILESCCC1CCNC(C(O)c2cncn2C)C1
InChIInChI=1S/C12H21N3O/c1-3-9-4-5-14-10(6-9)12(16)11-7-13-8-15(11)2/h7-10,12,14,16H,3-6H2,1-2H3
InChIKeyHACANRXGLPJCKW-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol (CID 66117984) is (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol is CCC1CCNC(C(O)c2cncn2C)C1.
What is the InChIKey of (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is HACANRXGLPJCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9-4-5-14-10(6-9)12(16)11-7-13-8-15(11)2/h7-10,12,14,16H,3-6H2,1-2H3.
What are the key properties of (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol?
(4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-2-yl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 66117984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).