N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine

C13H24N2O — CID 62064758

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCC2CCC=CO2)C1
InChIInChI=1S/C13H24N2O/c1-2-15-8-5-6-12(11-15)14-10-13-7-3-4-9-16-13/h4,9,12-14H,2-3,5-8,10-11H2,1H3
InChIKeyRMIMKQBQWPTYHO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.75
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine (PubChem CID 62064758) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine
PubChem CID62064758
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCC2CCC=CO2)C1
InChIInChI=1S/C13H24N2O/c1-2-15-8-5-6-12(11-15)14-10-13-7-3-4-9-16-13/h4,9,12-14H,2-3,5-8,10-11H2,1H3
InChIKeyRMIMKQBQWPTYHO-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine (CID 62064758) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine is CCN1CCCC(NCC2CCC=CO2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine?
The InChIKey is RMIMKQBQWPTYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15-8-5-6-12(11-15)14-10-13-7-3-4-9-16-13/h4,9,12-14H,2-3,5-8,10-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 62064758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).