2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine

C12H26N2O — CID 106453449

IUPAC2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
SMILESCCCOCCN1CCC(CCN)CC1
InChIInChI=1S/C12H26N2O/c1-2-10-15-11-9-14-7-4-12(3-6-13)5-8-14/h12H,2-11,13H2,1H3
InChIKeyFIUDVCFCNQXZJT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds7

About 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine

2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine (PubChem CID 106453449) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
PubChem CID106453449
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
SMILESCCCOCCN1CCC(CCN)CC1
InChIInChI=1S/C12H26N2O/c1-2-10-15-11-9-14-7-4-12(3-6-13)5-8-14/h12H,2-11,13H2,1H3
InChIKeyFIUDVCFCNQXZJT-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
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

2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
[4-(propoxymethyl)piperidin-1-yl]methanamine
CID 155739261
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
CID 163451495

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine (CID 106453449) is 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine is CCCOCCN1CCC(CCN)CC1.
What is the InChIKey of 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine?
The InChIKey is FIUDVCFCNQXZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-10-15-11-9-14-7-4-12(3-6-13)5-8-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine?
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 106453449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).