1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol

C22H26N2O2S — CID 18930333

IUPAC1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CCN2CCC(C(O)c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C22H26N2O2S/c1-26-18-8-6-16(7-9-18)10-13-24-14-11-17(12-15-24)21(25)22-23-19-4-2-3-5-20(19)27-22/h2-9,17,21,25H,10-15H2,1H3
InChIKeyVCQUTTNYIIUZKX-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.29
Rot. Bonds6

About 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol

1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 18930333) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
PubChem CID18930333
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CCN2CCC(C(O)c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C22H26N2O2S/c1-26-18-8-6-16(7-9-18)10-13-24-14-11-17(12-15-24)21(25)22-23-19-4-2-3-5-20(19)27-22/h2-9,17,21,25H,10-15H2,1H3
InChIKeyVCQUTTNYIIUZKX-UHFFFAOYSA-N
XLogP4.29
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol (CID 18930333) is 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol is COc1ccc(CCN2CCC(C(O)c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is VCQUTTNYIIUZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-26-18-8-6-16(7-9-18)10-13-24-14-11-17(12-15-24)21(25)22-23-19-4-2-3-5-20(19)27-22/h2-9,17,21,25H,10-15H2,1H3.
What are the key properties of 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 382.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 18930333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).