tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane

C17H33NO4 — CID 143876026

IUPACtert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane
SMILESCC(=O)C1CC(CCO)CCN1C(=O)OC(C)(C)C.CCC
InChIInChI=1S/C14H25NO4.C3H8/c1-10(17)12-9-11(6-8-16)5-7-15(12)13(18)19-14(2,3)4;1-3-2/h11-12,16H,5-9H2,1-4H3;3H2,1-2H3
InChIKeyYMCGDZKFIKFQDT-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane

tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane (PubChem CID 143876026) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane.

Molecular Properties

Compound Nametert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane
PubChem CID143876026
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Nametert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane
SMILESCC(=O)C1CC(CCO)CCN1C(=O)OC(C)(C)C.CCC
InChIInChI=1S/C14H25NO4.C3H8/c1-10(17)12-9-11(6-8-16)5-7-15(12)13(18)19-14(2,3)4;1-3-2/h11-12,16H,5-9H2,1-4H3;3H2,1-2H3
InChIKeyYMCGDZKFIKFQDT-UHFFFAOYSA-N
XLogP3.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane?
The IUPAC name of tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane (CID 143876026) is tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane.
What is the SMILES notation for tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane?
The canonical SMILES for tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane is CC(=O)C1CC(CCO)CCN1C(=O)OC(C)(C)C.CCC.
What is the InChIKey of tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane?
The InChIKey is YMCGDZKFIKFQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4.C3H8/c1-10(17)12-9-11(6-8-16)5-7-15(12)13(18)19-14(2,3)4;1-3-2/h11-12,16H,5-9H2,1-4H3;3H2,1-2H3.
What are the key properties of tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane?
tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane has a molecular weight of 315.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetyl-4-(2-hydroxyethyl)piperidine-1-carboxylate;propane is sourced from PubChem (CID 143876026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).