(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine

C18H23NS — CID 11778702

IUPAC(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine
SMILESCCCN1CCC[C@@H](c2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C18H23NS/c1-2-9-19-10-4-7-17(13-19)15-5-3-6-16(12-15)18-8-11-20-14-18/h3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,1H3/t17-/m1/s1
InChIKeyWKZQYOGJYMCSPM-QGZVFWFLSA-N
MW285.46 g/mol
LogP5.00
Rot. Bonds4

About (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine

(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine (PubChem CID 11778702) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine.

Molecular Properties

Compound Name(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine
PubChem CID11778702
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine
SMILESCCCN1CCC[C@@H](c2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C18H23NS/c1-2-9-19-10-4-7-17(13-19)15-5-3-6-16(12-15)18-8-11-20-14-18/h3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,1H3/t17-/m1/s1
InChIKeyWKZQYOGJYMCSPM-QGZVFWFLSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine?
The IUPAC name of (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine (CID 11778702) is (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine.
What is the SMILES notation for (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine?
The canonical SMILES for (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine is CCCN1CCC[C@@H](c2cccc(-c3ccsc3)c2)C1.
What is the InChIKey of (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine?
The InChIKey is WKZQYOGJYMCSPM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-9-19-10-4-7-17(13-19)15-5-3-6-16(12-15)18-8-11-20-14-18/h3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,1H3/t17-/m1/s1.
What are the key properties of (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine?
(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine has a molecular weight of 285.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine is sourced from PubChem (CID 11778702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).