4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine

C15H21NS — CID 117372199

IUPAC4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
SMILESc1cc2c(c(CC3CCNCC3)c1)SCCC2
InChIInChI=1S/C15H21NS/c1-3-13-5-2-10-17-15(13)14(4-1)11-12-6-8-16-9-7-12/h1,3-4,12,16H,2,5-11H2
InChIKeySYBKGTVNQJNELP-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.27
Rot. Bonds2

About 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine

4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine (PubChem CID 117372199) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
PubChem CID117372199
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
SMILESc1cc2c(c(CC3CCNCC3)c1)SCCC2
InChIInChI=1S/C15H21NS/c1-3-13-5-2-10-17-15(13)14(4-1)11-12-6-8-16-9-7-12/h1,3-4,12,16H,2,5-11H2
InChIKeySYBKGTVNQJNELP-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479
3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
CID 84796476
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417
1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 84793933
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-(2,3-dihydro-1-benzothiophen-5-ylmethyl)piperidine
CID 84796490
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
7-(piperidin-4-ylmethyl)-1,2-benzothiazole
CID 84795660
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one
CID 117399770

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine?
The IUPAC name of 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine (CID 117372199) is 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine.
What is the SMILES notation for 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine?
The canonical SMILES for 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine is c1cc2c(c(CC3CCNCC3)c1)SCCC2.
What is the InChIKey of 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine?
The InChIKey is SYBKGTVNQJNELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-13-5-2-10-17-15(13)14(4-1)11-12-6-8-16-9-7-12/h1,3-4,12,16H,2,5-11H2.
What are the key properties of 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine?
4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine has a molecular weight of 247.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine is sourced from PubChem (CID 117372199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).