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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Related Compounds

2-methyl-13-oxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 58185057
1-prop-2-ynyl-4-xanthen-9-ylidenepiperidine
CID 141108468
2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 67755947
17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene
CID 12566036
(9E)-9-(8-nitrobenzo[a]xanthen-12-ylidene)xanthene-2-carbonitrile
CID 71623771
4-(2-bromo-4H-thieno[3,2-c][1]benzoxepin-10-ylidene)-1-methylpiperidine;hydrobromide
CID 161222996
10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene
CID 122629643
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide
CID 70508760
18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene
CID 58185016
12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
CID 129289170
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713

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).