4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine

C18H25NS — CID 164933870

IUPAC4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine
SMILESCN1CCC(c2cc3cc(C(C)(C)C)ccc3s2)CC1
InChIInChI=1S/C18H25NS/c1-18(2,3)15-5-6-16-14(11-15)12-17(20-16)13-7-9-19(4)10-8-13/h5-6,11-13H,7-10H2,1-4H3
InChIKeyRGHJRZHSUQQPFI-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.01
Rot. Bonds1

About 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine

4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine (PubChem CID 164933870) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine
PubChem CID164933870
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine
SMILESCN1CCC(c2cc3cc(C(C)(C)C)ccc3s2)CC1
InChIInChI=1S/C18H25NS/c1-18(2,3)15-5-6-16-14(11-15)12-17(20-16)13-7-9-19(4)10-8-13/h5-6,11-13H,7-10H2,1-4H3
InChIKeyRGHJRZHSUQQPFI-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-1-benzothiophen-2-yl)piperazine
CID 164933861
5-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
CID 164933931
5-tert-butyl-1-benzothiophene-2-carbonitrile
CID 84740110
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
5-tert-butyl-3-cyclopropyl-1-benzothiophene-2-carboxylic acid
CID 114359249
6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
CID 112710647
1-methyl-4-[3-[5-(trifluoromethyl)-1-benzothiophen-2-yl]propyl]piperazine
CID 170864305
7-tert-butyl-2-methyl-3,4,4a,10a-tetrahydro-1H-[1,4]benzodioxino[3,2-c]pyridine
CID 171729661
5-(4-tert-butylphenyl)-1-methyl-1,4-diazepane
CID 82295508
5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 3533032
4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine
CID 18797402
ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole
CID 155572427

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine?
The IUPAC name of 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine (CID 164933870) is 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine?
The canonical SMILES for 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine is CN1CCC(c2cc3cc(C(C)(C)C)ccc3s2)CC1.
What is the InChIKey of 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine?
The InChIKey is RGHJRZHSUQQPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-18(2,3)15-5-6-16-14(11-15)12-17(20-16)13-7-9-19(4)10-8-13/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine?
4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine has a molecular weight of 287.47 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1-benzothiophen-2-yl)-1-methylpiperidine is sourced from PubChem (CID 164933870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).