2-[4-(thian-3-yloxy)phenyl]piperidine

C16H23NOS — CID 117445021

IUPAC2-[4-(thian-3-yloxy)phenyl]piperidine
SMILESc1cc(C2CCCCN2)ccc1OC1CCCSC1
InChIInChI=1S/C16H23NOS/c1-2-10-17-16(5-1)13-6-8-14(9-7-13)18-15-4-3-11-19-12-15/h6-9,15-17H,1-5,10-12H2
InChIKeyLLRHYBOSYDGZBW-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.78
Rot. Bonds3

About 2-[4-(thian-3-yloxy)phenyl]piperidine

2-[4-(thian-3-yloxy)phenyl]piperidine (PubChem CID 117445021) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[4-(thian-3-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name2-[4-(thian-3-yloxy)phenyl]piperidine
PubChem CID117445021
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-[4-(thian-3-yloxy)phenyl]piperidine
SMILESc1cc(C2CCCCN2)ccc1OC1CCCSC1
InChIInChI=1S/C16H23NOS/c1-2-10-17-16(5-1)13-6-8-14(9-7-13)18-15-4-3-11-19-12-15/h6-9,15-17H,1-5,10-12H2
InChIKeyLLRHYBOSYDGZBW-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(thian-3-yloxy)phenyl]piperidine
CID 117445019
2-[4-(oxan-4-yloxy)phenyl]pyrrolidine
CID 115004800
4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117471004
3-(4-pyrrolidin-2-ylphenoxy)thietane 1,1-dioxide
CID 117421883
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
3-[4-(trifluoromethoxy)phenyl]-1,4-thiazepane
CID 66218272
1-[[4-(thian-3-yloxy)phenyl]methyl]piperazine
CID 117472448
2-(4-butoxyphenyl)piperidine
CID 3525424
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-phenylpiperidine
CID 10997356
3-[3-(thian-3-yloxy)phenyl]pyrrolidine
CID 117413808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thian-3-yloxy)phenyl]piperidine?
The IUPAC name of 2-[4-(thian-3-yloxy)phenyl]piperidine (CID 117445021) is 2-[4-(thian-3-yloxy)phenyl]piperidine.
What is the SMILES notation for 2-[4-(thian-3-yloxy)phenyl]piperidine?
The canonical SMILES for 2-[4-(thian-3-yloxy)phenyl]piperidine is c1cc(C2CCCCN2)ccc1OC1CCCSC1.
What is the InChIKey of 2-[4-(thian-3-yloxy)phenyl]piperidine?
The InChIKey is LLRHYBOSYDGZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-10-17-16(5-1)13-6-8-14(9-7-13)18-15-4-3-11-19-12-15/h6-9,15-17H,1-5,10-12H2.
What are the key properties of 2-[4-(thian-3-yloxy)phenyl]piperidine?
2-[4-(thian-3-yloxy)phenyl]piperidine has a molecular weight of 277.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thian-3-yloxy)phenyl]piperidine is sourced from PubChem (CID 117445021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).