1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine

C20H24N2O — CID 21482860

IUPAC1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine
SMILESCCN1CCCC(NC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C20H24N2O/c1-2-22-13-7-8-15(14-22)21-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3-6,9-12,15,20-21H,2,7-8,13-14H2,1H3
InChIKeyOBRGMNNYROQILG-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.96
Rot. Bonds3

About 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine

1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine (PubChem CID 21482860) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine
PubChem CID21482860
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine
SMILESCCN1CCCC(NC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C20H24N2O/c1-2-22-13-7-8-15(14-22)21-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3-6,9-12,15,20-21H,2,7-8,13-14H2,1H3
InChIKeyOBRGMNNYROQILG-UHFFFAOYSA-N
XLogP3.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
The IUPAC name of 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine (CID 21482860) is 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine is CCN1CCCC(NC2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
The InChIKey is OBRGMNNYROQILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-22-13-7-8-15(14-22)21-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3-6,9-12,15,20-21H,2,7-8,13-14H2,1H3.
What are the key properties of 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(9H-xanthen-9-yl)piperidin-3-amine is sourced from PubChem (CID 21482860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).