4-benzo[a]xanthen-12-ylidene-1-methylpiperidine

C23H21NO — CID 154116729

IUPAC4-benzo[a]xanthen-12-ylidene-1-methylpiperidine
SMILESCN1CCC(=C2c3ccccc3Oc3ccc4ccccc4c32)CC1
InChIInChI=1S/C23H21NO/c1-24-14-12-17(13-15-24)22-19-8-4-5-9-20(19)25-21-11-10-16-6-2-3-7-18(16)23(21)22/h2-11H,12-15H2,1H3
InChIKeyQXLKTCIDLQBUGO-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.47
Rot. Bonds

About 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine

4-benzo[a]xanthen-12-ylidene-1-methylpiperidine (PubChem CID 154116729) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine.

Molecular Properties

Compound Name4-benzo[a]xanthen-12-ylidene-1-methylpiperidine
PubChem CID154116729
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name4-benzo[a]xanthen-12-ylidene-1-methylpiperidine
SMILESCN1CCC(=C2c3ccccc3Oc3ccc4ccccc4c32)CC1
InChIInChI=1S/C23H21NO/c1-24-14-12-17(13-15-24)22-19-8-4-5-9-20(19)25-21-11-10-16-6-2-3-7-18(16)23(21)22/h2-11H,12-15H2,1H3
InChIKeyQXLKTCIDLQBUGO-UHFFFAOYSA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine?
The IUPAC name of 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine (CID 154116729) is 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine.
What is the SMILES notation for 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine?
The canonical SMILES for 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine is CN1CCC(=C2c3ccccc3Oc3ccc4ccccc4c32)CC1.
What is the InChIKey of 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine?
The InChIKey is QXLKTCIDLQBUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-24-14-12-17(13-15-24)22-19-8-4-5-9-20(19)25-21-11-10-16-6-2-3-7-18(16)23(21)22/h2-11H,12-15H2,1H3.
What are the key properties of 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine?
4-benzo[a]xanthen-12-ylidene-1-methylpiperidine has a molecular weight of 327.43 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[a]xanthen-12-ylidene-1-methylpiperidine is sourced from PubChem (CID 154116729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).