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

C19H21NS — CID 3056440

IUPAC3-(9H-thioxanthen-9-ylmethyl)piperidine
SMILESc1ccc2c(c1)Sc1ccccc1C2CC1CCCNC1
InChIInChI=1S/C19H21NS/c1-3-9-18-15(7-1)17(12-14-6-5-11-20-13-14)16-8-2-4-10-19(16)21-18/h1-4,7-10,14,17,20H,5-6,11-13H2
InChIKeyZHCRQQSQDOVNFC-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.67
Rot. Bonds2

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

3-(9H-thioxanthen-9-ylmethyl)piperidine (PubChem CID 3056440) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(9H-thioxanthen-9-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(9H-thioxanthen-9-ylmethyl)piperidine
PubChem CID3056440
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name3-(9H-thioxanthen-9-ylmethyl)piperidine
SMILESc1ccc2c(c1)Sc1ccccc1C2CC1CCCNC1
InChIInChI=1S/C19H21NS/c1-3-9-18-15(7-1)17(12-14-6-5-11-20-13-14)16-8-2-4-10-19(16)21-18/h1-4,7-10,14,17,20H,5-6,11-13H2
InChIKeyZHCRQQSQDOVNFC-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-thioxanthen-9-ylmethyl)piperidine?
The IUPAC name of 3-(9H-thioxanthen-9-ylmethyl)piperidine (CID 3056440) is 3-(9H-thioxanthen-9-ylmethyl)piperidine.
What is the SMILES notation for 3-(9H-thioxanthen-9-ylmethyl)piperidine?
The canonical SMILES for 3-(9H-thioxanthen-9-ylmethyl)piperidine is c1ccc2c(c1)Sc1ccccc1C2CC1CCCNC1.
What is the InChIKey of 3-(9H-thioxanthen-9-ylmethyl)piperidine?
The InChIKey is ZHCRQQSQDOVNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-3-9-18-15(7-1)17(12-14-6-5-11-20-13-14)16-8-2-4-10-19(16)21-18/h1-4,7-10,14,17,20H,5-6,11-13H2.
What are the key properties of 3-(9H-thioxanthen-9-ylmethyl)piperidine?
3-(9H-thioxanthen-9-ylmethyl)piperidine has a molecular weight of 295.45 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-thioxanthen-9-ylmethyl)piperidine is sourced from PubChem (CID 3056440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).