1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine

C12H26N2O — CID 63852723

IUPAC1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
SMILESCCOCCN1CCC(C(C)NC)CC1
InChIInChI=1S/C12H26N2O/c1-4-15-10-9-14-7-5-12(6-8-14)11(2)13-3/h11-13H,4-10H2,1-3H3
InChIKeyJSLIPMBAYVXRRH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds6

About 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine

1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 63852723) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
PubChem CID63852723
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
SMILESCCOCCN1CCC(C(C)NC)CC1
InChIInChI=1S/C12H26N2O/c1-4-15-10-9-14-7-5-12(6-8-14)11(2)13-3/h11-13H,4-10H2,1-3H3
InChIKeyJSLIPMBAYVXRRH-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine
CID 63853081
2-[1-(2-ethoxyethyl)piperidin-4-yl]-1-(methylamino)ethanol
CID 177202230
N-ethyl-1-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106448993
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
CID 63853080
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine
CID 176984511

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine (CID 63852723) is 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine is CCOCCN1CCC(C(C)NC)CC1.
What is the InChIKey of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is JSLIPMBAYVXRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-15-10-9-14-7-5-12(6-8-14)11(2)13-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine?
1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 63852723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).