N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine

C13H24N2O — CID 115896006

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC2=CCOCC2)CC1
InChIInChI=1S/C13H24N2O/c1-15-8-3-13(4-9-15)14-7-2-12-5-10-16-11-6-12/h5,13-14H,2-4,6-11H2,1H3
InChIKeyMJPKZTVLQBYVAE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 115896006) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine
PubChem CID115896006
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC2=CCOCC2)CC1
InChIInChI=1S/C13H24N2O/c1-15-8-3-13(4-9-15)14-7-2-12-5-10-16-11-6-12/h5,13-14H,2-4,6-11H2,1H3
InChIKeyMJPKZTVLQBYVAE-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine (CID 115896006) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine is CN1CCC(NCCC2=CCOCC2)CC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is MJPKZTVLQBYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15-8-3-13(4-9-15)14-7-2-12-5-10-16-11-6-12/h5,13-14H,2-4,6-11H2,1H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 115896006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).