3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol

C17H23NOS2 — CID 28588

IUPAC3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol
SMILESCC(CC(O)(c1ccsc1)c1ccsc1)N1CCCCC1
InChIInChI=1S/C17H23NOS2/c1-14(18-7-3-2-4-8-18)11-17(19,15-5-9-20-12-15)16-6-10-21-13-16/h5-6,9-10,12-14,19H,2-4,7-8,11H2,1H3
InChIKeyOSXDBRQUIHYBNU-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.31
Rot. Bonds5

About 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol

3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol (PubChem CID 28588) has the molecular formula C17H23NOS2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol
PubChem CID28588
Molecular FormulaC17H23NOS2
Molecular Weight321.51 g/mol
Exact Mass321.12
IUPAC Name3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol
SMILESCC(CC(O)(c1ccsc1)c1ccsc1)N1CCCCC1
InChIInChI=1S/C17H23NOS2/c1-14(18-7-3-2-4-8-18)11-17(19,15-5-9-20-12-15)16-6-10-21-13-16/h5-6,9-10,12-14,19H,2-4,7-8,11H2,1H3
InChIKeyOSXDBRQUIHYBNU-UHFFFAOYSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol with MolForge

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Related Compounds

2-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-di(thiophen-3-yl)ethanol iodide
CID 44232946
1-Butanol, 3-(diethylamino)-1,1-di(thien-3-yl)-, hydrochloride
CID 28581
4-Hydroxy-N-methyl-N,N-dipropyl-4,4-di(thiophen-3-yl)butan-2-aminium iodide
CID 28583
1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide
CID 28585
3-(Piperidin-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol--hydrogen bromide (1/1)
CID 28587
3-(Morpholin-4-yl)-1,1-di(thiophen-3-yl)butan-1-ol--hydrogen bromide (1/1)
CID 28589
1-Propanol, 3-(dimethylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205156
1-Propanol, 3-(dipropylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205158
1-Propanol, 3-(dibutylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205160
1-Propanol, 1,1-di(thien-3-yl)-3-pyrrolidinyl-, hydrobromide
CID 205162
1-Propanol, 1,1-di(thien-3-yl)-3-piperidino-, hydrobromide
CID 205164
1-Propanol, 1,1-di(thien-3-yl)-3-(hexahydro-1-azepinyl)-, hydrobromide
CID 205166

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol?
The IUPAC name of 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol (CID 28588) is 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol.
What is the SMILES notation for 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol?
The canonical SMILES for 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol is CC(CC(O)(c1ccsc1)c1ccsc1)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol?
The InChIKey is OSXDBRQUIHYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS2/c1-14(18-7-3-2-4-8-18)11-17(19,15-5-9-20-12-15)16-6-10-21-13-16/h5-6,9-10,12-14,19H,2-4,7-8,11H2,1H3.
What are the key properties of 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol?
3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol has a molecular weight of 321.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol is sourced from PubChem (CID 28588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).