tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate

C15H29NO5S — CID 106729052

IUPACtert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate
SMILESCCCS(=O)(=O)CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C15H29NO5S/c1-5-9-22(19,20)10-7-12-11-16(8-6-13(12)17)14(18)21-15(2,3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyPLXXHCRQFGNDEY-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.82
Rot. Bonds5

About tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate (PubChem CID 106729052) has the molecular formula C15H29NO5S and a molecular weight of 335.47 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate
PubChem CID106729052
Molecular FormulaC15H29NO5S
Molecular Weight335.47 g/mol
Exact Mass335.18
IUPAC Nametert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate
SMILESCCCS(=O)(=O)CCC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C15H29NO5S/c1-5-9-22(19,20)10-7-12-11-16(8-6-13(12)17)14(18)21-15(2,3)4/h12-13,17H,5-11H2,1-4H3
InChIKeyPLXXHCRQFGNDEY-UHFFFAOYSA-N
XLogP1.82
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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 (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-propylpiperidine-4-carboxylic acid
CID 84809403
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
CID 156745703
tert-butyl 4-bromo-3-(bromomethyl)piperidine-1-carboxylate
CID 131189995
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate (CID 106729052) is tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate is CCCS(=O)(=O)CCC1CN(C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate?
The InChIKey is PLXXHCRQFGNDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5S/c1-5-9-22(19,20)10-7-12-11-16(8-6-13(12)17)14(18)21-15(2,3)4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3-(2-propylsulfonylethyl)piperidine-1-carboxylate has a molecular weight of 335.47 g/mol, XLogP of 1.82, 5 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-propylsulfonylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 106729052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).