tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

C18H32N2O4 — CID 11609811

IUPACtert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC1CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CCC1O
InChIInChI=1S/C18H32N2O4/c1-13-12-20(10-7-15(13)21)16(22)11-14-5-8-19(9-6-14)17(23)24-18(2,3)4/h13-15,21H,5-12H2,1-4H3
InChIKeyKZXFJFLQZRHCNT-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 11609811) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID11609811
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC1CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CCC1O
InChIInChI=1S/C18H32N2O4/c1-13-12-20(10-7-15(13)21)16(22)11-14-5-8-19(9-6-14)17(23)24-18(2,3)4/h13-15,21H,5-12H2,1-4H3
InChIKeyKZXFJFLQZRHCNT-UHFFFAOYSA-N
XLogP2.25
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-((4-hydroxypiperidin-1-yl)methyl)piperidine-1-carboxylate
CID 135396421
tert-butyl 4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 71864037
Tert-butyl 4-[2-(4-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11501010
Tert-butyl 4-[2-(2-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11523801
Tert-butyl 4-[2-(3-ethyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11566556
Tert-butyl 4-[2-(4-hydroxy-2-propan-2-ylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11574217
Tert-butyl 4-[2-[4-hydroxy-2-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 11581745
Tert-butyl 4-[2-(2-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11602553
Tert-butyl 4-[2-(4-hydroxy-2-propylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11603106
Tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11625138
Tert-butyl 4-[2-(4-hydroxy-3-propylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11632069
Tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11645819

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 11609811) is tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is CC1CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CCC1O.
What is the InChIKey of tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is KZXFJFLQZRHCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-13-12-20(10-7-15(13)21)16(22)11-14-5-8-19(9-6-14)17(23)24-18(2,3)4/h13-15,21H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11609811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).