6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine

C19H25N3 — CID 10709014

IUPAC6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine
SMILESCCN1CCN(c2nc3ccccc3c3c2CCCC3)CC1
InChIInChI=1S/C19H25N3/c1-2-21-11-13-22(14-12-21)19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20-19/h5-6,8,10H,2-4,7,9,11-14H2,1H3
InChIKeyOCJHRAFKWMOMGL-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.26
Rot. Bonds2

About 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine

6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine (PubChem CID 10709014) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine
PubChem CID10709014
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine
SMILESCCN1CCN(c2nc3ccccc3c3c2CCCC3)CC1
InChIInChI=1S/C19H25N3/c1-2-21-11-13-22(14-12-21)19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20-19/h5-6,8,10H,2-4,7,9,11-14H2,1H3
InChIKeyOCJHRAFKWMOMGL-UHFFFAOYSA-N
XLogP3.26
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine (CID 10709014) is 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine is CCN1CCN(c2nc3ccccc3c3c2CCCC3)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
The InChIKey is OCJHRAFKWMOMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-21-11-13-22(14-12-21)19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20-19/h5-6,8,10H,2-4,7,9,11-14H2,1H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine?
6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine has a molecular weight of 295.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-7,8,9,10-tetrahydrophenanthridine is sourced from PubChem (CID 10709014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).