1-(2H-pyran-4-yl)piperidin-3-amine

C10H16N2O — CID 141115860

IUPAC1-(2H-pyran-4-yl)piperidin-3-amine
SMILESNC1CCCN(C2=CCOC=C2)C1
InChIInChI=1S/C10H16N2O/c11-9-2-1-5-12(8-9)10-3-6-13-7-4-10/h3-4,6,9H,1-2,5,7-8,11H2
InChIKeyMHEFKMHEFPHMNY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.84
Rot. Bonds1

About 1-(2H-pyran-4-yl)piperidin-3-amine

1-(2H-pyran-4-yl)piperidin-3-amine (PubChem CID 141115860) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2H-pyran-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(2H-pyran-4-yl)piperidin-3-amine
PubChem CID141115860
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(2H-pyran-4-yl)piperidin-3-amine
SMILESNC1CCCN(C2=CCOC=C2)C1
InChIInChI=1S/C10H16N2O/c11-9-2-1-5-12(8-9)10-3-6-13-7-4-10/h3-4,6,9H,1-2,5,7-8,11H2
InChIKeyMHEFKMHEFPHMNY-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2H-pyran-5-yl)piperazine
CID 22461532
1-(2H-pyran-5-yl)piperidine
CID 23293741
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
(3S,5R)-1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]piperidine-3,5-diamine
CID 129310447
(3R)-1-(2H-pyran-4-yl)piperidin-3-amine
CID 153713481
1-(2H-pyran-4-yl)piperidin-4-amine
CID 176227651
1-(2H-pyran-4-yl)piperidin-4-amine;dihydrochloride
CID 176227653
ethane;1-(2H-pyran-4-yl)piperazine
CID 178177938
1-(2H-pyran-4-yl)piperazine
CID 178177939

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-4-yl)piperidin-3-amine?
The IUPAC name of 1-(2H-pyran-4-yl)piperidin-3-amine (CID 141115860) is 1-(2H-pyran-4-yl)piperidin-3-amine.
What is the SMILES notation for 1-(2H-pyran-4-yl)piperidin-3-amine?
The canonical SMILES for 1-(2H-pyran-4-yl)piperidin-3-amine is NC1CCCN(C2=CCOC=C2)C1.
What is the InChIKey of 1-(2H-pyran-4-yl)piperidin-3-amine?
The InChIKey is MHEFKMHEFPHMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-9-2-1-5-12(8-9)10-3-6-13-7-4-10/h3-4,6,9H,1-2,5,7-8,11H2.
What are the key properties of 1-(2H-pyran-4-yl)piperidin-3-amine?
1-(2H-pyran-4-yl)piperidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-4-yl)piperidin-3-amine is sourced from PubChem (CID 141115860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).