tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate

C19H26N2O3S — CID 97173356

IUPACtert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nc2ccccc2s1
InChIInChI=1S/C19H26N2O3S/c1-19(2,3)24-18(22)21-12-7-6-8-14(21)11-13-23-17-20-15-9-4-5-10-16(15)25-17/h4-5,9-10,14H,6-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyZQYCKBODNXRPAR-CQSZACIVSA-N
MW362.50 g/mol
LogP4.85
Rot. Bonds4

About tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate (PubChem CID 97173356) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate
PubChem CID97173356
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Nametert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nc2ccccc2s1
InChIInChI=1S/C19H26N2O3S/c1-19(2,3)24-18(22)21-12-7-6-8-14(21)11-13-23-17-20-15-9-4-5-10-16(15)25-17/h4-5,9-10,14H,6-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyZQYCKBODNXRPAR-CQSZACIVSA-N
XLogP4.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(1,2-benzothiazol-3-yloxy)ethyl]piperidine-1-carboxylate
CID 71631638
tert-butyl (2R)-2-[[(S)-1,3-benzothiazol-2-ylsulfinyl]methyl]piperidine-1-carboxylate
CID 97173831
tert-butyl (2R)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173354
tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173355
tert-butyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 71302286
tert-butyl 3-[3-(1,3-benzothiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 71631021
tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 71631632
tert-butyl (2R)-2-[2-(2-chloropyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 97173304
tert-butyl (2R)-2-[[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001680
tert-butyl 2-[3-(1,3-benzoxazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 71631579
tert-butyl (2R)-2-[3-(1,3-thiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 97173228
tert-butyl (2R)-2-[2-(4-chloropyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 97173318

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate (CID 97173356) is tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nc2ccccc2s1.
What is the InChIKey of tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate?
The InChIKey is ZQYCKBODNXRPAR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-19(2,3)24-18(22)21-12-7-6-8-14(21)11-13-23-17-20-15-9-4-5-10-16(15)25-17/h4-5,9-10,14H,6-8,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate has a molecular weight of 362.50 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 97173356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).