1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine

C14H25N3O — CID 141130543

IUPAC1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine
SMILESCCC(C)N1CCC(COc2nccn2C)CC1
InChIInChI=1S/C14H25N3O/c1-4-12(2)17-8-5-13(6-9-17)11-18-14-15-7-10-16(14)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3
InChIKeyPEKKLZPWGBNPBX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.31
Rot. Bonds5

About 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine

1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine (PubChem CID 141130543) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine
PubChem CID141130543
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine
SMILESCCC(C)N1CCC(COc2nccn2C)CC1
InChIInChI=1S/C14H25N3O/c1-4-12(2)17-8-5-13(6-9-17)11-18-14-15-7-10-16(14)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3
InChIKeyPEKKLZPWGBNPBX-UHFFFAOYSA-N
XLogP2.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine?
The IUPAC name of 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine (CID 141130543) is 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine.
What is the SMILES notation for 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine?
The canonical SMILES for 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine is CCC(C)N1CCC(COc2nccn2C)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine?
The InChIKey is PEKKLZPWGBNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12(2)17-8-5-13(6-9-17)11-18-14-15-7-10-16(14)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine?
1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine has a molecular weight of 251.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 141130543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).