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

C21H24N2O3S — CID 11211303

IUPAC[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H24N2O3S/c24-15-16-9-11-23(12-10-16)13-14-25-17-5-7-18(8-6-17)26-21-22-19-3-1-2-4-20(19)27-21/h1-8,16,24H,9-15H2
InChIKeyNTOXQUBAGYBHEG-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.17
Rot. Bonds7

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

[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol (PubChem CID 11211303) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol
PubChem CID11211303
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H24N2O3S/c24-15-16-9-11-23(12-10-16)13-14-25-17-5-7-18(8-6-17)26-21-22-19-3-1-2-4-20(19)27-21/h1-8,16,24H,9-15H2
InChIKeyNTOXQUBAGYBHEG-UHFFFAOYSA-N
XLogP4.17
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol (CID 11211303) is [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol is OCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol?
The InChIKey is NTOXQUBAGYBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-15-16-9-11-23(12-10-16)13-14-25-17-5-7-18(8-6-17)26-21-22-19-3-1-2-4-20(19)27-21/h1-8,16,24H,9-15H2.
What are the key properties of [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol?
[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol has a molecular weight of 384.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 11211303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).