5-(2-piperidin-1-ylethyl)-1H-phenanthridine

C20H24N2 — CID 87801473

IUPAC5-(2-piperidin-1-ylethyl)-1H-phenanthridine
SMILESC1=CCC2=c3ccccc3=CN(CCN3CCCCC3)C2=C1
InChIInChI=1S/C20H24N2/c1-6-12-21(13-7-1)14-15-22-16-17-8-2-3-9-18(17)19-10-4-5-11-20(19)22/h2-5,8-9,11,16H,1,6-7,10,12-15H2
InChIKeyXPROWTFXZMYQOK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.22
Rot. Bonds3

About 5-(2-piperidin-1-ylethyl)-1H-phenanthridine

5-(2-piperidin-1-ylethyl)-1H-phenanthridine (PubChem CID 87801473) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(2-piperidin-1-ylethyl)-1H-phenanthridine.

Molecular Properties

Compound Name5-(2-piperidin-1-ylethyl)-1H-phenanthridine
PubChem CID87801473
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name5-(2-piperidin-1-ylethyl)-1H-phenanthridine
SMILESC1=CCC2=c3ccccc3=CN(CCN3CCCCC3)C2=C1
InChIInChI=1S/C20H24N2/c1-6-12-21(13-7-1)14-15-22-16-17-8-2-3-9-18(17)19-10-4-5-11-20(19)22/h2-5,8-9,11,16H,1,6-7,10,12-15H2
InChIKeyXPROWTFXZMYQOK-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-ylethyl)-1H-phenanthridine?
The IUPAC name of 5-(2-piperidin-1-ylethyl)-1H-phenanthridine (CID 87801473) is 5-(2-piperidin-1-ylethyl)-1H-phenanthridine.
What is the SMILES notation for 5-(2-piperidin-1-ylethyl)-1H-phenanthridine?
The canonical SMILES for 5-(2-piperidin-1-ylethyl)-1H-phenanthridine is C1=CCC2=c3ccccc3=CN(CCN3CCCCC3)C2=C1.
What is the InChIKey of 5-(2-piperidin-1-ylethyl)-1H-phenanthridine?
The InChIKey is XPROWTFXZMYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-6-12-21(13-7-1)14-15-22-16-17-8-2-3-9-18(17)19-10-4-5-11-20(19)22/h2-5,8-9,11,16H,1,6-7,10,12-15H2.
What are the key properties of 5-(2-piperidin-1-ylethyl)-1H-phenanthridine?
5-(2-piperidin-1-ylethyl)-1H-phenanthridine has a molecular weight of 292.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-ylethyl)-1H-phenanthridine is sourced from PubChem (CID 87801473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).