3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole

C19H20N2S — CID 23541438

IUPAC3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole
SMILESc1ccc(CN2CCC(c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N2S/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-17-8-4-5-9-18(17)22-20-19/h1-9,16H,10-14H2
InChIKeyRZGHRYOCBVDJRO-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.68
Rot. Bonds3

About 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole

3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole (PubChem CID 23541438) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole
PubChem CID23541438
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole
SMILESc1ccc(CN2CCC(c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N2S/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-17-8-4-5-9-18(17)22-20-19/h1-9,16H,10-14H2
InChIKeyRZGHRYOCBVDJRO-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole (CID 23541438) is 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole is c1ccc(CN2CCC(c3nsc4ccccc34)CC2)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole?
The InChIKey is RZGHRYOCBVDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-17-8-4-5-9-18(17)22-20-19/h1-9,16H,10-14H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole?
3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole has a molecular weight of 308.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1,2-benzothiazole is sourced from PubChem (CID 23541438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).