4-(1,4-dioxan-2-yl)piperidine

C9H17NO2 — CID 91604240

IUPAC4-(1,4-dioxan-2-yl)piperidine
SMILESC1CC(C2COCCO2)CCN1
InChIInChI=1S/C9H17NO2/c1-3-10-4-2-8(1)9-7-11-5-6-12-9/h8-10H,1-7H2
InChIKeyMQQGENHQDYYHHM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.40
Rot. Bonds1

About 4-(1,4-dioxan-2-yl)piperidine

4-(1,4-dioxan-2-yl)piperidine (PubChem CID 91604240) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)piperidine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)piperidine
PubChem CID91604240
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(1,4-dioxan-2-yl)piperidine
SMILESC1CC(C2COCCO2)CCN1
InChIInChI=1S/C9H17NO2/c1-3-10-4-2-8(1)9-7-11-5-6-12-9/h8-10H,1-7H2
InChIKeyMQQGENHQDYYHHM-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,4-dioxan-2-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)piperidine?
The IUPAC name of 4-(1,4-dioxan-2-yl)piperidine (CID 91604240) is 4-(1,4-dioxan-2-yl)piperidine.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)piperidine?
The canonical SMILES for 4-(1,4-dioxan-2-yl)piperidine is C1CC(C2COCCO2)CCN1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)piperidine?
The InChIKey is MQQGENHQDYYHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-4-2-8(1)9-7-11-5-6-12-9/h8-10H,1-7H2.
What are the key properties of 4-(1,4-dioxan-2-yl)piperidine?
4-(1,4-dioxan-2-yl)piperidine has a molecular weight of 171.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-yl)piperidine is sourced from PubChem (CID 91604240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).