1-methyl-4-thioxanthen-9-ylidenepiperidine

C19H19NS — CID 4822

💊View drug profile → pimethixene
IUPAC1-methyl-4-thioxanthen-9-ylidenepiperidine
SMILESCN1CCC(=C2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
InChIKeyNZLVRVYNQYGMAB-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.68
Rot. Bonds

About 1-methyl-4-thioxanthen-9-ylidenepiperidine

1-methyl-4-thioxanthen-9-ylidenepiperidine (PubChem CID 4822) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-methyl-4-thioxanthen-9-ylidenepiperidine.

Molecular Properties

Compound Name1-methyl-4-thioxanthen-9-ylidenepiperidine
PubChem CID4822
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-methyl-4-thioxanthen-9-ylidenepiperidine
SMILESCN1CCC(=C2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
InChIKeyNZLVRVYNQYGMAB-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Metixene
CID 4167
Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride, hydrate (1:1:1)
CID 71177
Metixene Hydrochloride
CID 64722
Tedatioxetine
CID 9878913
Spipethiane
CID 10380647
4-Piperidinol, 4-(1,1-dimethylethyl)-1-(9H-thioxanthen-9-ylmethyl)-, hydrochloride
CID 3053250
2-(Biphenyl-2-ylthio)-N,N-dimethylethanamine
CID 46233381
N-(2-phenylethyl)-2-(9H-thioxanthen-9-yl)ethanamine
CID 56678302
1'-[2-(2,4-Difluorophenyl)ethyl]spiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide
CID 10971209
4-Methyl-1-(3-thioxanthen-9-ylidenepropyl)piperidine
CID 44310664
1-benzyl-4-(3,4-dihydro-2H-thiochromen-2-yl)piperidine
CID 45487204
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thioxanthen-9-ylidenepiperidine?
The IUPAC name of 1-methyl-4-thioxanthen-9-ylidenepiperidine (CID 4822) is 1-methyl-4-thioxanthen-9-ylidenepiperidine.
What is the SMILES notation for 1-methyl-4-thioxanthen-9-ylidenepiperidine?
The canonical SMILES for 1-methyl-4-thioxanthen-9-ylidenepiperidine is CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-thioxanthen-9-ylidenepiperidine?
The InChIKey is NZLVRVYNQYGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3.
What are the key properties of 1-methyl-4-thioxanthen-9-ylidenepiperidine?
1-methyl-4-thioxanthen-9-ylidenepiperidine has a molecular weight of 293.44 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thioxanthen-9-ylidenepiperidine is sourced from PubChem (CID 4822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).