4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine

C16H34N2O2 — CID 62557776

IUPAC4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
SMILESCCCOC1CCCN(CCNCCCCOCC)C1
InChIInChI=1S/C16H34N2O2/c1-3-13-20-16-8-7-11-18(15-16)12-10-17-9-5-6-14-19-4-2/h16-17H,3-15H2,1-2H3
InChIKeyUEBGGXQGAIQOOK-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.28
Rot. Bonds12

About 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine

4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine (PubChem CID 62557776) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
PubChem CID62557776
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
SMILESCCCOC1CCCN(CCNCCCCOCC)C1
InChIInChI=1S/C16H34N2O2/c1-3-13-20-16-8-7-11-18(15-16)12-10-17-9-5-6-14-19-4-2/h16-17H,3-15H2,1-2H3
InChIKeyUEBGGXQGAIQOOK-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
CID 62558812
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 63167841
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 55158969
N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 62624096

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine (CID 62557776) is 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine is CCCOC1CCCN(CCNCCCCOCC)C1.
What is the InChIKey of 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine?
The InChIKey is UEBGGXQGAIQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-3-13-20-16-8-7-11-18(15-16)12-10-17-9-5-6-14-19-4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine?
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 2.28, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62557776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).