4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine

C19H25NO2S — CID 142663971

IUPAC4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine
SMILESc1cc(COCCCOc2ccc(C3CCNCC3)cc2)cs1
InChIInChI=1S/C19H25NO2S/c1(11-21-14-16-8-13-23-15-16)12-22-19-4-2-17(3-5-19)18-6-9-20-10-7-18/h2-5,8,13,15,18,20H,1,6-7,9-12,14H2
InChIKeyMEBLFEUYFJIZTI-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.20
Rot. Bonds8

About 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine

4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine (PubChem CID 142663971) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine
PubChem CID142663971
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine
SMILESc1cc(COCCCOc2ccc(C3CCNCC3)cc2)cs1
InChIInChI=1S/C19H25NO2S/c1(11-21-14-16-8-13-23-15-16)12-22-19-4-2-17(3-5-19)18-6-9-20-10-7-18/h2-5,8,13,15,18,20H,1,6-7,9-12,14H2
InChIKeyMEBLFEUYFJIZTI-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine?
The IUPAC name of 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine (CID 142663971) is 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine.
What is the SMILES notation for 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine?
The canonical SMILES for 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine is c1cc(COCCCOc2ccc(C3CCNCC3)cc2)cs1.
What is the InChIKey of 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine?
The InChIKey is MEBLFEUYFJIZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1(11-21-14-16-8-13-23-15-16)12-22-19-4-2-17(3-5-19)18-6-9-20-10-7-18/h2-5,8,13,15,18,20H,1,6-7,9-12,14H2.
What are the key properties of 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine?
4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine has a molecular weight of 331.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(thiophen-3-ylmethoxy)propoxy]phenyl]piperidine is sourced from PubChem (CID 142663971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).