4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine

C13H28N2O — CID 62427995

IUPAC4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine
SMILESCCOC1CCN(C(C)CCCNC)CC1
InChIInChI=1S/C13H28N2O/c1-4-16-13-7-10-15(11-8-13)12(2)6-5-9-14-3/h12-14H,4-11H2,1-3H3
InChIKeyMTOQLYQWOBUMQB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine

4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine (PubChem CID 62427995) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine
PubChem CID62427995
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine
SMILESCCOC1CCN(C(C)CCCNC)CC1
InChIInChI=1S/C13H28N2O/c1-4-16-13-7-10-15(11-8-13)12(2)6-5-9-14-3/h12-14H,4-11H2,1-3H3
InChIKeyMTOQLYQWOBUMQB-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine (CID 62427995) is 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine is CCOC1CCN(C(C)CCCNC)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine?
The InChIKey is MTOQLYQWOBUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-16-13-7-10-15(11-8-13)12(2)6-5-9-14-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine?
4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 62427995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).