1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine

C20H23NS — CID 4167

💊View drug profile → metixene
IUPAC1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
SMILESCN1CCCC(CC2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKeyMJFJKKXQDNNUJF-UHFFFAOYSA-N
MW309.48 g/mol
LogP5.01
Rot. Bonds2

About 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine

1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine (PubChem CID 4167) has the molecular formula C20H23NS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
PubChem CID4167
Molecular FormulaC20H23NS
Molecular Weight309.48 g/mol
Exact Mass309.16
IUPAC Name1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
SMILESCN1CCCC(CC2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKeyMJFJKKXQDNNUJF-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pimethixene
CID 4822
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-3-(9H-thioxanthen-9-ylmethyl)piperidine?
The IUPAC name of 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine (CID 4167) is 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine?
The canonical SMILES for 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine is CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.
What is the InChIKey of 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine?
The InChIKey is MJFJKKXQDNNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3.
What are the key properties of 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine?
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine has a molecular weight of 309.48 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine is sourced from PubChem (CID 4167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).