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

C16H23NOS — CID 117445019

IUPAC2-[2-(thian-3-yloxy)phenyl]piperidine
SMILESc1ccc(C2CCCCN2)c(OC2CCCSC2)c1
InChIInChI=1S/C16H23NOS/c1-2-9-16(18-13-6-5-11-19-12-13)14(7-1)15-8-3-4-10-17-15/h1-2,7,9,13,15,17H,3-6,8,10-12H2
InChIKeySHYQEHKXOLSEIP-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.78
Rot. Bonds3

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

2-[2-(thian-3-yloxy)phenyl]piperidine (PubChem CID 117445019) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[2-(thian-3-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name2-[2-(thian-3-yloxy)phenyl]piperidine
PubChem CID117445019
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-[2-(thian-3-yloxy)phenyl]piperidine
SMILESc1ccc(C2CCCCN2)c(OC2CCCSC2)c1
InChIInChI=1S/C16H23NOS/c1-2-9-16(18-13-6-5-11-19-12-13)14(7-1)15-8-3-4-10-17-15/h1-2,7,9,13,15,17H,3-6,8,10-12H2
InChIKeySHYQEHKXOLSEIP-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-[4-(thian-3-yloxy)phenyl]piperidine
CID 117445021
3-[2-(thian-3-yloxy)phenyl]propan-1-ol
CID 117384484
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
3-[2-(thian-3-yloxy)phenyl]propanoic acid
CID 117420330
2-[2-(2-methoxyethoxy)phenyl]piperidine
CID 104662497
2-(2-cyclopentylphenyl)piperidine
CID 115005914
3-(2-bromophenyl)-1,4-thiazepane
CID 66219747
3-(2-fluorophenyl)-1,4-thiazepane
CID 66219257
3-(2-chlorophenyl)-1,4-thiazepane
CID 66217043
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thian-3-yloxy)phenyl]piperidine?
The IUPAC name of 2-[2-(thian-3-yloxy)phenyl]piperidine (CID 117445019) is 2-[2-(thian-3-yloxy)phenyl]piperidine.
What is the SMILES notation for 2-[2-(thian-3-yloxy)phenyl]piperidine?
The canonical SMILES for 2-[2-(thian-3-yloxy)phenyl]piperidine is c1ccc(C2CCCCN2)c(OC2CCCSC2)c1.
What is the InChIKey of 2-[2-(thian-3-yloxy)phenyl]piperidine?
The InChIKey is SHYQEHKXOLSEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-9-16(18-13-6-5-11-19-12-13)14(7-1)15-8-3-4-10-17-15/h1-2,7,9,13,15,17H,3-6,8,10-12H2.
What are the key properties of 2-[2-(thian-3-yloxy)phenyl]piperidine?
2-[2-(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-[2-(thian-3-yloxy)phenyl]piperidine is sourced from PubChem (CID 117445019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).