2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine

C14H23N3O — CID 114719966

IUPAC2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2CC2CCOC2)N1
InChIInChI=1S/C14H23N3O/c1-11-3-2-4-13(16-11)14-7-15-10-17(14)8-12-5-6-18-9-12/h7,10-13,16H,2-6,8-9H2,1H3
InChIKeyAXZAYDHZGMYLGA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds3

About 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine

2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine (PubChem CID 114719966) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
PubChem CID114719966
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2CC2CCOC2)N1
InChIInChI=1S/C14H23N3O/c1-11-3-2-4-13(16-11)14-7-15-10-17(14)8-12-5-6-18-9-12/h7,10-13,16H,2-6,8-9H2,1H3
InChIKeyAXZAYDHZGMYLGA-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine (CID 114719966) is 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine is CC1CCCC(c2cncn2CC2CCOC2)N1.
What is the InChIKey of 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine?
The InChIKey is AXZAYDHZGMYLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-3-2-4-13(16-11)14-7-15-10-17(14)8-12-5-6-18-9-12/h7,10-13,16H,2-6,8-9H2,1H3.
What are the key properties of 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine?
2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114719966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).