4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine

C16H18FNOS — CID 54675084

IUPAC4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine
SMILESFc1cccc(OC(c2cccs2)C2CCNCC2)c1
InChIInChI=1S/C16H18FNOS/c17-13-3-1-4-14(11-13)19-16(15-5-2-10-20-15)12-6-8-18-9-7-12/h1-5,10-12,16,18H,6-9H2
InChIKeySUAVRJCEDSXGAQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.01
Rot. Bonds4

About 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine

4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine (PubChem CID 54675084) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine
PubChem CID54675084
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine
SMILESFc1cccc(OC(c2cccs2)C2CCNCC2)c1
InChIInChI=1S/C16H18FNOS/c17-13-3-1-4-14(11-13)19-16(15-5-2-10-20-15)12-6-8-18-9-7-12/h1-5,10-12,16,18H,6-9H2
InChIKeySUAVRJCEDSXGAQ-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine?
The IUPAC name of 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine (CID 54675084) is 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine.
What is the SMILES notation for 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine?
The canonical SMILES for 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine is Fc1cccc(OC(c2cccs2)C2CCNCC2)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine?
The InChIKey is SUAVRJCEDSXGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c17-13-3-1-4-14(11-13)19-16(15-5-2-10-20-15)12-6-8-18-9-7-12/h1-5,10-12,16,18H,6-9H2.
What are the key properties of 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine?
4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine has a molecular weight of 291.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)-thiophen-2-ylmethyl]piperidine is sourced from PubChem (CID 54675084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).