6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine

C18H27N3 — CID 10684566

IUPAC6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine
SMILESCN1CCN(c2nc3c(c4c2CCCC4)CCCC3)CC1
InChIInChI=1S/C18H27N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h2-13H2,1H3
InChIKeyJFFVUDWEKNWLBQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.59
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine

6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine (PubChem CID 10684566) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine
PubChem CID10684566
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine
SMILESCN1CCN(c2nc3c(c4c2CCCC4)CCCC3)CC1
InChIInChI=1S/C18H27N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h2-13H2,1H3
InChIKeyJFFVUDWEKNWLBQ-UHFFFAOYSA-N
XLogP2.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Blonanserin
CID 125564
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridine
CID 399481
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
CID 44286463
4-Ethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline
CID 44304233
1-Propyl-3-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658267
1-Propan-2-yl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749168
1-Ethyl-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658975
2-(4-Methylpiperazin-1-yl)-4-phenylquinoline
CID 721629
4-Methyl-2-(4-methylpiperazin-1-yl)quinoline
CID 747018
1-Isopropyl-3-(4-morpholinyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
CID 807848

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine (CID 10684566) is 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine is CN1CCN(c2nc3c(c4c2CCCC4)CCCC3)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The InChIKey is JFFVUDWEKNWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h2-13H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine?
6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine has a molecular weight of 285.43 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-1,2,3,4,7,8,9,10-octahydrophenanthridine is sourced from PubChem (CID 10684566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).