4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine

C17H25NOS — CID 117471004

IUPAC4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(OC2CCCSC2)ccc1CC1CCNCC1
InChIInChI=1S/C17H25NOS/c1-2-17(13-20-11-1)19-16-5-3-14(4-6-16)12-15-7-9-18-10-8-15/h3-6,15,17-18H,1-2,7-13H2
InChIKeyXUUWCIQQZPGHOD-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.50
Rot. Bonds4

About 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine

4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117471004) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
PubChem CID117471004
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(OC2CCCSC2)ccc1CC1CCNCC1
InChIInChI=1S/C17H25NOS/c1-2-17(13-20-11-1)19-16-5-3-14(4-6-16)12-15-7-9-18-10-8-15/h3-6,15,17-18H,1-2,7-13H2
InChIKeyXUUWCIQQZPGHOD-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

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Related Compounds

4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
CID 117471005
1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine
CID 117472448
4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117405627
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117470997
1-[[4-(thiolan-3-yloxy)phenyl]methyl]piperazine
CID 117446782
2-[4-(thian-3-yloxy)phenyl]piperidine
CID 117445021
4-[4-(thian-3-yloxy)phenyl]butanoic acid
CID 117450374
2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
CID 117413830
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 66524896
3-[3-(thian-3-yloxy)phenyl]pyrrolidine
CID 117413808
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine (CID 117471004) is 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine is c1cc(OC2CCCSC2)ccc1CC1CCNCC1.
What is the InChIKey of 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is XUUWCIQQZPGHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-2-17(13-20-11-1)19-16-5-3-14(4-6-16)12-15-7-9-18-10-8-15/h3-6,15,17-18H,1-2,7-13H2.
What are the key properties of 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine?
4-[[4-(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 4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117471004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).