2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

C23H28N2O — CID 71459270

IUPAC2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3ccc(C)cc3c3ccccc23)CC1
InChIInChI=1S/C23H28N2O/c1-3-12-25-13-10-18(11-14-25)16-26-23-20-7-5-4-6-19(20)21-15-17(2)8-9-22(21)24-23/h4-9,15,18H,3,10-14,16H2,1-2H3
InChIKeyHBVNFFWOVCJCBB-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.20
Rot. Bonds5

About 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (PubChem CID 71459270) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.

Molecular Properties

Compound Name2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
PubChem CID71459270
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
SMILESCCCN1CCC(COc2nc3ccc(C)cc3c3ccccc23)CC1
InChIInChI=1S/C23H28N2O/c1-3-12-25-13-10-18(11-14-25)16-26-23-20-7-5-4-6-19(20)21-15-17(2)8-9-22(21)24-23/h4-9,15,18H,3,10-14,16H2,1-2H3
InChIKeyHBVNFFWOVCJCBB-UHFFFAOYSA-N
XLogP5.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Quinisocaine
CID 6857
Dimethisoquin Hydrochloride
CID 9883104
5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9881053
2-Methyl-5-[2-[4-[[3-(1-methylpiperidin-4-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 9957376
2-Methyl-5-(2-{4-[3-pyridin-4-ylbenzyl]piperidin-1-yl}ethoxy)quinoline
CID 10288132
Quotane
CID 17714
5-[2-(4-Benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
CID 24865538
7-Fluoro-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71455625
7-Iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71457409
4-Methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline iodide
CID 9550335
9-Butyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9819953
9-Methyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9857899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The IUPAC name of 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine (CID 71459270) is 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine.
What is the SMILES notation for 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The canonical SMILES for 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is CCCN1CCC(COc2nc3ccc(C)cc3c3ccccc23)CC1.
What is the InChIKey of 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
The InChIKey is HBVNFFWOVCJCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-3-12-25-13-10-18(11-14-25)16-26-23-20-7-5-4-6-19(20)21-15-17(2)8-9-22(21)24-23/h4-9,15,18H,3,10-14,16H2,1-2H3.
What are the key properties of 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine?
2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine has a molecular weight of 348.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine is sourced from PubChem (CID 71459270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).