4-imidazol-1-yl-1-(oxolan-3-yl)piperidine

C12H19N3O — CID 127447254

IUPAC4-imidazol-1-yl-1-(oxolan-3-yl)piperidine
SMILESc1cn(C2CCN(C3CCOC3)CC2)cn1
InChIInChI=1S/C12H19N3O/c1-5-14(12-3-8-16-9-12)6-2-11(1)15-7-4-13-10-15/h4,7,10-12H,1-3,5-6,8-9H2
InChIKeyASCMMASYAVBNJR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.31
Rot. Bonds2

About 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine

4-imidazol-1-yl-1-(oxolan-3-yl)piperidine (PubChem CID 127447254) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(oxolan-3-yl)piperidine
PubChem CID127447254
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-imidazol-1-yl-1-(oxolan-3-yl)piperidine
SMILESc1cn(C2CCN(C3CCOC3)CC2)cn1
InChIInChI=1S/C12H19N3O/c1-5-14(12-3-8-16-9-12)6-2-11(1)15-7-4-13-10-15/h4,7,10-12H,1-3,5-6,8-9H2
InChIKeyASCMMASYAVBNJR-UHFFFAOYSA-N
XLogP1.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine?
The IUPAC name of 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine (CID 127447254) is 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine.
What is the SMILES notation for 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine?
The canonical SMILES for 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine is c1cn(C2CCN(C3CCOC3)CC2)cn1.
What is the InChIKey of 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine?
The InChIKey is ASCMMASYAVBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-14(12-3-8-16-9-12)6-2-11(1)15-7-4-13-10-15/h4,7,10-12H,1-3,5-6,8-9H2.
What are the key properties of 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine?
4-imidazol-1-yl-1-(oxolan-3-yl)piperidine has a molecular weight of 221.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(oxolan-3-yl)piperidine is sourced from PubChem (CID 127447254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).