tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate

C16H26N2O3S — CID 104928470

IUPACtert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate
SMILESCc1ncsc1CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C16H26N2O3S/c1-11-14(22-10-17-11)6-5-12-9-18(8-7-13(12)19)15(20)21-16(2,3)4/h10,12-13,19H,5-9H2,1-4H3
InChIKeyRLHMCININYKMHA-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate (PubChem CID 104928470) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate
PubChem CID104928470
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Nametert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate
SMILESCc1ncsc1CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C16H26N2O3S/c1-11-14(22-10-17-11)6-5-12-9-18(8-7-13(12)19)15(20)21-16(2,3)4/h10,12-13,19H,5-9H2,1-4H3
InChIKeyRLHMCININYKMHA-UHFFFAOYSA-N
XLogP3.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 86811551
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
tert-butyl 3-(2-ethylsulfanylethyl)-4-hydroxypiperidine-1-carboxylate
CID 114452020
tert-butyl 4-hydroxy-3-(3-methylsulfanylpropyl)piperidine-1-carboxylate
CID 114452021
tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate
CID 106729052
tert-butyl (2R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 80710247
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3S)-3-[(3-methylpyrazin-2-yl)sulfonylmethyl]pyrrolidine-1-carboxylate
CID 97176154
tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate
CID 104928493
tert-butyl 4-bromo-3-(bromomethyl)piperidine-1-carboxylate
CID 131189995

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate (CID 104928470) is tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate is Cc1ncsc1CCC1CN(C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is RLHMCININYKMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11-14(22-10-17-11)6-5-12-9-18(8-7-13(12)19)15(20)21-16(2,3)4/h10,12-13,19H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 326.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 104928470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).