4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine

C16H18ClNOS — CID 53390786

IUPAC4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine
SMILESClc1cccc(OCc2sccc2C2CCNCC2)c1
InChIInChI=1S/C16H18ClNOS/c17-13-2-1-3-14(10-13)19-11-16-15(6-9-20-16)12-4-7-18-8-5-12/h1-3,6,9-10,12,18H,4-5,7-8,11H2
InChIKeyKSYRAGLKGGIBIT-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.45
Rot. Bonds4

About 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine

4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine (PubChem CID 53390786) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine.

Molecular Properties

Compound Name4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine
PubChem CID53390786
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine
SMILESClc1cccc(OCc2sccc2C2CCNCC2)c1
InChIInChI=1S/C16H18ClNOS/c17-13-2-1-3-14(10-13)19-11-16-15(6-9-20-16)12-4-7-18-8-5-12/h1-3,6,9-10,12,18H,4-5,7-8,11H2
InChIKeyKSYRAGLKGGIBIT-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine?
The IUPAC name of 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine (CID 53390786) is 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine.
What is the SMILES notation for 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine?
The canonical SMILES for 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine is Clc1cccc(OCc2sccc2C2CCNCC2)c1.
What is the InChIKey of 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine?
The InChIKey is KSYRAGLKGGIBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c17-13-2-1-3-14(10-13)19-11-16-15(6-9-20-16)12-4-7-18-8-5-12/h1-3,6,9-10,12,18H,4-5,7-8,11H2.
What are the key properties of 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine?
4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine has a molecular weight of 307.85 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine is sourced from PubChem (CID 53390786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).