tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate

C17H33NO5 — CID 22744586

IUPACtert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OCC(O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO5/c1-15(2,3)22-12-13(19)11-17(21)7-9-18(10-8-17)14(20)23-16(4,5)6/h13,19,21H,7-12H2,1-6H3
InChIKeyYKWKOEBEABMIBD-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate (PubChem CID 22744586) has the molecular formula C17H33NO5 and a molecular weight of 331.45 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate
PubChem CID22744586
Molecular FormulaC17H33NO5
Molecular Weight331.45 g/mol
Exact Mass331.24
IUPAC Nametert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OCC(O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO5/c1-15(2,3)22-12-13(19)11-17(21)7-9-18(10-8-17)14(20)23-16(4,5)6/h13,19,21H,7-12H2,1-6H3
InChIKeyYKWKOEBEABMIBD-UHFFFAOYSA-N
XLogP2.31
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(chlorooxymethyl)-4-fluoropiperidine-1-carboxylate
CID 70885046
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 4-(cyclopropylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 177053161
tert-butyl 4-hydroxy-4-[[methyl(2-methylpropyl)amino]methyl]piperidine-1-carboxylate
CID 67650801
tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
CID 145290232
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate (CID 22744586) is tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate is CC(C)(C)OCC(O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate?
The InChIKey is YKWKOEBEABMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO5/c1-15(2,3)22-12-13(19)11-17(21)7-9-18(10-8-17)14(20)23-16(4,5)6/h13,19,21H,7-12H2,1-6H3.
What are the key properties of tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate has a molecular weight of 331.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 22744586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).