3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine

C16H23NOS — CID 117444984

IUPAC3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
SMILESc1ccc(OC2CCSC2)c(CC2CCCNC2)c1
InChIInChI=1S/C16H23NOS/c1-2-6-16(18-15-7-9-19-12-15)14(5-1)10-13-4-3-8-17-11-13/h1-2,5-6,13,15,17H,3-4,7-12H2
InChIKeyRUPLFOKNYLMCLB-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.11
Rot. Bonds4

About 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine

3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117444984) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
PubChem CID117444984
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
SMILESc1ccc(OC2CCSC2)c(CC2CCCNC2)c1
InChIInChI=1S/C16H23NOS/c1-2-6-16(18-15-7-9-19-12-15)14(5-1)10-13-4-3-8-17-11-13/h1-2,5-6,13,15,17H,3-4,7-12H2
InChIKeyRUPLFOKNYLMCLB-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
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2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
CID 117444661
3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349655
4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074861
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine (CID 117444984) is 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine is c1ccc(OC2CCSC2)c(CC2CCCNC2)c1.
What is the InChIKey of 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is RUPLFOKNYLMCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-6-16(18-15-7-9-19-12-15)14(5-1)10-13-4-3-8-17-11-13/h1-2,5-6,13,15,17H,3-4,7-12H2.
What are the key properties of 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine?
3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine has a molecular weight of 277.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117444984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).