1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine

C23H29NOS — CID 3030470

IUPAC1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine
SMILESc1ccc(C2CCN(CCCOc3cccc4c3SCCC4)CC2)cc1
InChIInChI=1S/C23H29NOS/c1-2-7-19(8-3-1)20-12-15-24(16-13-20)14-6-17-25-22-11-4-9-21-10-5-18-26-23(21)22/h1-4,7-9,11,20H,5-6,10,12-18H2
InChIKeyOICHQUZIFQALDX-UHFFFAOYSA-N
MW367.56 g/mol
LogP5.37
Rot. Bonds6

About 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine

1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine (PubChem CID 3030470) has the molecular formula C23H29NOS and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine
PubChem CID3030470
Molecular FormulaC23H29NOS
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine
SMILESc1ccc(C2CCN(CCCOc3cccc4c3SCCC4)CC2)cc1
InChIInChI=1S/C23H29NOS/c1-2-7-19(8-3-1)20-12-15-24(16-13-20)14-6-17-25-22-11-4-9-21-10-5-18-26-23(21)22/h1-4,7-9,11,20H,5-6,10,12-18H2
InChIKeyOICHQUZIFQALDX-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine 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

Piperidine, 4-(6-ethoxy-1-methoxy-9H-thioxanthen-9-ylidene)-1-methyl-
CID 10287037
1-Piperidineethanol, alpha-(((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)methyl)-4-phenyl-
CID 3073934
2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((4-phenylbutyl)amino)-
CID 3073939
2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((3-phenylpropyl)amino)-
CID 3073940
11H-Dibenzo(b,e)(1,4)oxathiepin-11-ethanamine, N,N-diethyl-
CID 3067362
Thioxanthene-delta(sup 9,gamma)-propylamine, 2-(benzyloxy)-, hydrochloride (Z)-
CID 6444973
Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)
CID 6448842
Morpholine, 4-(3-(2-methoxythioxanthen-9-yl)propyl)-, hydrochloride
CID 24840289
Piperidine, 1-(3-(2-methoxythioxanthen-9-yl)propyl)-, hydrochloride
CID 24842721
3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methylpiperidine
CID 4248713
1-[2-(9H-xanthen-9-ylsulfanyl)ethyl]piperidine;hydrochloride
CID 12734160
1-[2-[(2-methoxy-9H-xanthen-9-yl)sulfanyl]ethyl]piperidine;hydrochloride
CID 12734170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine?
The IUPAC name of 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine (CID 3030470) is 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine is c1ccc(C2CCN(CCCOc3cccc4c3SCCC4)CC2)cc1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine?
The InChIKey is OICHQUZIFQALDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NOS/c1-2-7-19(8-3-1)20-12-15-24(16-13-20)14-6-17-25-22-11-4-9-21-10-5-18-26-23(21)22/h1-4,7-9,11,20H,5-6,10,12-18H2.
What are the key properties of 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine?
1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine has a molecular weight of 367.56 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperidine is sourced from PubChem (CID 3030470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).