6-piperidin-1-ylphenanthridine;hydrochloride

C18H19ClN2 — CID 2853903

IUPAC6-piperidin-1-ylphenanthridine;hydrochloride
SMILESCl.c1ccc2c(c1)nc(N1CCCCC1)c1ccccc12
InChIInChI=1S/C18H18N2.ClH/c1-6-12-20(13-7-1)18-16-10-3-2-8-14(16)15-9-4-5-11-17(15)19-18;/h2-5,8-11H,1,6-7,12-13H2;1H
InChIKeyFGHCLEQEYXTBLV-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.80
Rot. Bonds1

About 6-piperidin-1-ylphenanthridine;hydrochloride

6-piperidin-1-ylphenanthridine;hydrochloride (PubChem CID 2853903) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 6-piperidin-1-ylphenanthridine;hydrochloride.

Molecular Properties

Compound Name6-piperidin-1-ylphenanthridine;hydrochloride
PubChem CID2853903
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name6-piperidin-1-ylphenanthridine;hydrochloride
SMILESCl.c1ccc2c(c1)nc(N1CCCCC1)c1ccccc12
InChIInChI=1S/C18H18N2.ClH/c1-6-12-20(13-7-1)18-16-10-3-2-8-14(16)15-9-4-5-11-17(15)19-18;/h2-5,8-11H,1,6-7,12-13H2;1H
InChIKeyFGHCLEQEYXTBLV-UHFFFAOYSA-N
XLogP4.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylphenanthridine;hydrochloride?
The IUPAC name of 6-piperidin-1-ylphenanthridine;hydrochloride (CID 2853903) is 6-piperidin-1-ylphenanthridine;hydrochloride.
What is the SMILES notation for 6-piperidin-1-ylphenanthridine;hydrochloride?
The canonical SMILES for 6-piperidin-1-ylphenanthridine;hydrochloride is Cl.c1ccc2c(c1)nc(N1CCCCC1)c1ccccc12.
What is the InChIKey of 6-piperidin-1-ylphenanthridine;hydrochloride?
The InChIKey is FGHCLEQEYXTBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2.ClH/c1-6-12-20(13-7-1)18-16-10-3-2-8-14(16)15-9-4-5-11-17(15)19-18;/h2-5,8-11H,1,6-7,12-13H2;1H.
What are the key properties of 6-piperidin-1-ylphenanthridine;hydrochloride?
6-piperidin-1-ylphenanthridine;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylphenanthridine;hydrochloride is sourced from PubChem (CID 2853903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).