tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate

C14H25NO4 — CID 175243749

IUPACtert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate
SMILESCC(=O)OC(C)(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C14H25NO4/c1-10(16)18-14(5,11-6-8-15-9-7-11)12(17)19-13(2,3)4/h11,15H,6-9H2,1-5H3
InChIKeyMCYDLWGWKKLWSU-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate

tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate (PubChem CID 175243749) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate
PubChem CID175243749
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate
SMILESCC(=O)OC(C)(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C14H25NO4/c1-10(16)18-14(5,11-6-8-15-9-7-11)12(17)19-13(2,3)4/h11,15H,6-9H2,1-5H3
InChIKeyMCYDLWGWKKLWSU-UHFFFAOYSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
2-piperidin-4-ylpropan-2-yl 3-methylbut-2-enoate
CID 155075946
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate
CID 155075621
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
(2-cyclohexyl-3-oxobutan-2-yl) acetate
CID 70573535
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
tert-butyl piperidin-4-yl carbonate
CID 22078382
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate
CID 155076100
tert-butyl acetate;cyclopropanamine
CID 174763638
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate?
The IUPAC name of tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate (CID 175243749) is tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate.
What is the SMILES notation for tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate?
The canonical SMILES for tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate is CC(=O)OC(C)(C(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate?
The InChIKey is MCYDLWGWKKLWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(16)18-14(5,11-6-8-15-9-7-11)12(17)19-13(2,3)4/h11,15H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate?
tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate has a molecular weight of 271.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetyloxy-2-piperidin-4-ylpropanoate is sourced from PubChem (CID 175243749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).