N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine

C13H28N2O2 — CID 63616998

IUPACN-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine
SMILESCCOC(CN(CC)C1CCNCC1)OCC
InChIInChI=1S/C13H28N2O2/c1-4-15(12-7-9-14-10-8-12)11-13(16-5-2)17-6-3/h12-14H,4-11H2,1-3H3
InChIKeyMRYAOXSRABFQQO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.46
Rot. Bonds8

About N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine

N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine (PubChem CID 63616998) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine
PubChem CID63616998
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine
SMILESCCOC(CN(CC)C1CCNCC1)OCC
InChIInChI=1S/C13H28N2O2/c1-4-15(12-7-9-14-10-8-12)11-13(16-5-2)17-6-3/h12-14H,4-11H2,1-3H3
InChIKeyMRYAOXSRABFQQO-UHFFFAOYSA-N
XLogP1.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-N-ethylpiperidin-4-amine
CID 66220831
1-ethoxy-3-[ethyl(piperidin-4-yl)amino]propan-2-ol
CID 63932998
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
N,N-diethyl-3-[ethyl(piperidin-4-yl)amino]-2-methoxypropanamide
CID 71043577
3-[ethyl(piperidin-4-yl)amino]-2-methylpropanamide
CID 60806610
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
CID 116502156
3-[cyclopropyl(2,2-diethoxyethyl)amino]propanenitrile
CID 63619038
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 170122942
2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
CID 56831592
N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 81090110

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine (CID 63616998) is N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine is CCOC(CN(CC)C1CCNCC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine?
The InChIKey is MRYAOXSRABFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-15(12-7-9-14-10-8-12)11-13(16-5-2)17-6-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine?
N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 63616998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).