3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine

C17H25NOS — CID 117470997

IUPAC3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(CC2CCCNC2)cc(OC2CCCSC2)c1
InChIInChI=1S/C17H25NOS/c1-4-14(10-15-5-2-8-18-12-15)11-16(6-1)19-17-7-3-9-20-13-17/h1,4,6,11,15,17-18H,2-3,5,7-10,12-13H2
InChIKeyRQUDTTRQHVXLEG-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.50
Rot. Bonds4

About 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine

3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117470997) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
PubChem CID117470997
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(CC2CCCNC2)cc(OC2CCCSC2)c1
InChIInChI=1S/C17H25NOS/c1-4-14(10-15-5-2-8-18-12-15)11-16(6-1)19-17-7-3-9-20-13-17/h1,4,6,11,15,17-18H,2-3,5,7-10,12-13H2
InChIKeyRQUDTTRQHVXLEG-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
CID 84785505
3-[3-(thian-3-yloxy)phenyl]pyrrolidine
CID 117413808
2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444980
4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117471004
3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444984
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
2-[[3-(thian-4-yloxy)phenyl]methyl]pyrrolidine
CID 117444975
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine (CID 117470997) is 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine is c1cc(CC2CCCNC2)cc(OC2CCCSC2)c1.
What is the InChIKey of 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is RQUDTTRQHVXLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-4-14(10-15-5-2-8-18-12-15)11-16(6-1)19-17-7-3-9-20-13-17/h1,4,6,11,15,17-18H,2-3,5,7-10,12-13H2.
What are the key properties of 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine?
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine has a molecular weight of 291.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117470997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).