N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine

C12H26N2O — CID 61217050

IUPACN-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine
SMILESCCOC1CCN(CCNC(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-4-15-12-5-8-14(9-6-12)10-7-13-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyOYVPPUQHIGHTBQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine

N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine (PubChem CID 61217050) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine
PubChem CID61217050
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine
SMILESCCOC1CCN(CCNC(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-4-15-12-5-8-14(9-6-12)10-7-13-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyOYVPPUQHIGHTBQ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine (CID 61217050) is N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine is CCOC1CCN(CCNC(C)C)CC1.
What is the InChIKey of N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine?
The InChIKey is OYVPPUQHIGHTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-15-12-5-8-14(9-6-12)10-7-13-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine?
N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxypiperidin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 61217050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).