3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine

C16H34N2O2 — CID 62558812

IUPAC3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCOC1CCCN(CCNCCCOC(C)C)C1
InChIInChI=1S/C16H34N2O2/c1-4-12-20-16-7-5-10-18(14-16)11-9-17-8-6-13-19-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyLQVGCKOKXBHAHR-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.28
Rot. Bonds11

About 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine

3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine (PubChem CID 62558812) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
PubChem CID62558812
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCOC1CCCN(CCNCCCOC(C)C)C1
InChIInChI=1S/C16H34N2O2/c1-4-12-20-16-7-5-10-18(14-16)11-9-17-8-6-13-19-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyLQVGCKOKXBHAHR-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine (CID 62558812) is 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine is CCCOC1CCCN(CCNCCCOC(C)C)C1.
What is the InChIKey of 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine?
The InChIKey is LQVGCKOKXBHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-12-20-16-7-5-10-18(14-16)11-9-17-8-6-13-19-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine?
3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62558812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).