N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine

C13H28N2O2 — CID 60816961

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
SMILESCCN1CCC(C(C)NCC(OC)OC)CC1
InChIInChI=1S/C13H28N2O2/c1-5-15-8-6-12(7-9-15)11(2)14-10-13(16-3)17-4/h11-14H,5-10H2,1-4H3
InChIKeyMLRITBMRFPKOSL-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.32
Rot. Bonds7

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine (PubChem CID 60816961) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
PubChem CID60816961
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
SMILESCCN1CCC(C(C)NCC(OC)OC)CC1
InChIInChI=1S/C13H28N2O2/c1-5-15-8-6-12(7-9-15)11(2)14-10-13(16-3)17-4/h11-14H,5-10H2,1-4H3
InChIKeyMLRITBMRFPKOSL-UHFFFAOYSA-N
XLogP1.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.32
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

methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
CID 43307422
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
CID 102696931
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
1-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 106249309
N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 106396896
1-(1-ethylpiperidin-4-yl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099614
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide
CID 43310362
1-cyclopropyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63989699
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine (CID 60816961) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine is CCN1CCC(C(C)NCC(OC)OC)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine?
The InChIKey is MLRITBMRFPKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-15-8-6-12(7-9-15)11(2)14-10-13(16-3)17-4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine has a molecular weight of 244.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60816961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).