4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine

C22H25NO2S — CID 10287037

IUPAC4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine
SMILESCCOc1ccc2c(c1)Sc1cccc(OC)c1C2=C1CCN(C)CC1
InChIInChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3
InChIKeyANZVBVKYXOGOQC-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.09
Rot. Bonds3

About 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine

4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine (PubChem CID 10287037) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine
PubChem CID10287037
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC Name4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine
SMILESCCOc1ccc2c(c1)Sc1cccc(OC)c1C2=C1CCN(C)CC1
InChIInChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3
InChIKeyANZVBVKYXOGOQC-UHFFFAOYSA-N
XLogP5.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-(4-Hydroxy-phenyl)-2-(3-piperidin-1-yl-propyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol
CID 44348079
N-methyl((3R,4R)-4-(o-tolyloxy)thiochroman-3-yl)methanamine
CID 44587385
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine
CID 10336715
1-[2-[4-[6-Methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine
CID 44601954
DIBENZO(b,f)THIEPIN, 7-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYL-10-PHENYL-
CID 55407
1-Piperazineethanol, 4-(3-(2-methoxythioxanthen-9-ylidene)propyl)-, dihydrochloride
CID 6437929
Thioxanthene-delta(sup 9,gamma)-propylamine, 2-(benzyloxy)-, hydrochloride (Z)-
CID 6444973
Thioxanthene, 3-methoxy-9-(3-(4-methylpiperazinyl)propylidene)-, dihydrochloride
CID 6446690
Morpholine, 4-(3-(2-methoxythioxanthen-9-yl)propyl)-, hydrochloride
CID 24840289
Piperidine, 1-(3-(2-methoxythioxanthen-9-yl)propyl)-, hydrochloride
CID 24842721
3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methylpiperidine
CID 4248713
4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride
CID 12734144

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine?
The IUPAC name of 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine (CID 10287037) is 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine?
The canonical SMILES for 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine is CCOc1ccc2c(c1)Sc1cccc(OC)c1C2=C1CCN(C)CC1.
What is the InChIKey of 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine?
The InChIKey is ANZVBVKYXOGOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine?
4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine has a molecular weight of 367.51 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine is sourced from PubChem (CID 10287037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).