2-[2-(3,3-diethoxypropoxy)ethyl]piperidine

C14H29NO3 — CID 113320298

IUPAC2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
SMILESCCOC(CCOCCC1CCCCN1)OCC
InChIInChI=1S/C14H29NO3/c1-3-17-14(18-4-2)9-12-16-11-8-13-7-5-6-10-15-13/h13-15H,3-12H2,1-2H3
InChIKeyKEIYLTZEDBSNAV-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.32
Rot. Bonds10

About 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine

2-[2-(3,3-diethoxypropoxy)ethyl]piperidine (PubChem CID 113320298) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
PubChem CID113320298
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
SMILESCCOC(CCOCCC1CCCCN1)OCC
InChIInChI=1S/C14H29NO3/c1-3-17-14(18-4-2)9-12-16-11-8-13-7-5-6-10-15-13/h13-15H,3-12H2,1-2H3
InChIKeyKEIYLTZEDBSNAV-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966
ethyl 2-(2-piperidin-2-ylethoxy)pentanoate
CID 106939616
2-methyl-3-(2-piperidin-2-ylethoxy)propan-1-ol
CID 106937955
N,N-dimethyl-4-(2-piperidin-2-ylethoxy)butanamide
CID 55065440
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
CID 62341420
2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
CID 66275246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine (CID 113320298) is 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine is CCOC(CCOCCC1CCCCN1)OCC.
What is the InChIKey of 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine?
The InChIKey is KEIYLTZEDBSNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-17-14(18-4-2)9-12-16-11-8-13-7-5-6-10-15-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine?
2-[2-(3,3-diethoxypropoxy)ethyl]piperidine has a molecular weight of 259.39 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-diethoxypropoxy)ethyl]piperidine is sourced from PubChem (CID 113320298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).