1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine

C18H23NOS — CID 56668427

IUPAC1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine
SMILESc1csc(-c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C18H23NOS/c1-2-11-19(12-3-1)13-5-14-20-17-9-7-16(8-10-17)18-6-4-15-21-18/h4,6-10,15H,1-3,5,11-14H2
InChIKeyFNMSKRVJSVGVRH-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.67
Rot. Bonds6

About 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine

1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine (PubChem CID 56668427) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine
PubChem CID56668427
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine
SMILESc1csc(-c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C18H23NOS/c1-2-11-19(12-3-1)13-5-14-20-17-9-7-16(8-10-17)18-6-4-15-21-18/h4,6-10,15H,1-3,5,11-14H2
InChIKeyFNMSKRVJSVGVRH-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(4-(methylthio)phenoxy)-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947376
(S)-2-((4-(4-(thiophen-3-yl)phenoxy)phenoxy)methyl)piperidine
CID 46888240
3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propyl]-amino}-propionic acid
CID 9862473
3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 9863103
3-{Methyl-[3-(4-thiophen-2-ylmethyl-phenoxy)-propyl]-amino}-propionic acid
CID 9927621
3-{Methyl-[3-(4-thiophen-2-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 9950170
1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10708447
N-[2-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
CID 18986848
trans-1-(3-(4-(3-Methyl-2,3-dihydrobenzo[b][1,4]oxathiin-2-yl)phenoxy)propyl)pyrrolidine
CID 45270025
cis-1-(3-(4-(3-Ethyl-2,3-dihydrobenzo[b][1,4]oxathiin-2-yl)phenoxy)propyl)pyrrolidine
CID 45270855
cis-1-(3-(4-(3-Methyl-2,3-dihydrobenzo[b][1,4]oxathiin-2-yl)phenoxy)propyl)pyrrolidine
CID 45272576
(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine
CID 9818212

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine (CID 56668427) is 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine is c1csc(-c2ccc(OCCCN3CCCCC3)cc2)c1.
What is the InChIKey of 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine?
The InChIKey is FNMSKRVJSVGVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-11-19(12-3-1)13-5-14-20-17-9-7-16(8-10-17)18-6-4-15-21-18/h4,6-10,15H,1-3,5,11-14H2.
What are the key properties of 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine?
1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine has a molecular weight of 301.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-thiophen-2-ylphenoxy)propyl]piperidine is sourced from PubChem (CID 56668427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).