3,3-diethoxypiperidine

C9H19NO2 — CID 21482822

IUPAC3,3-diethoxypiperidine
SMILESCCOC1(OCC)CCCNC1
InChIInChI=1S/C9H19NO2/c1-3-11-9(12-4-2)6-5-7-10-8-9/h10H,3-8H2,1-2H3
InChIKeySHNLHJWRMUFFDN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds4

About 3,3-diethoxypiperidine

3,3-diethoxypiperidine (PubChem CID 21482822) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3,3-diethoxypiperidine.

Molecular Properties

Compound Name3,3-diethoxypiperidine
PubChem CID21482822
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3,3-diethoxypiperidine
SMILESCCOC1(OCC)CCCNC1
InChIInChI=1S/C9H19NO2/c1-3-11-9(12-4-2)6-5-7-10-8-9/h10H,3-8H2,1-2H3
InChIKeySHNLHJWRMUFFDN-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxypiperidine?
The IUPAC name of 3,3-diethoxypiperidine (CID 21482822) is 3,3-diethoxypiperidine.
What is the SMILES notation for 3,3-diethoxypiperidine?
The canonical SMILES for 3,3-diethoxypiperidine is CCOC1(OCC)CCCNC1.
What is the InChIKey of 3,3-diethoxypiperidine?
The InChIKey is SHNLHJWRMUFFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-11-9(12-4-2)6-5-7-10-8-9/h10H,3-8H2,1-2H3.
What are the key properties of 3,3-diethoxypiperidine?
3,3-diethoxypiperidine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxypiperidine is sourced from PubChem (CID 21482822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).