tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate

C14H25NO4 — CID 56526939

IUPACtert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-12(16)10-15-7-5-4-6-11(15)13-17-8-9-18-13/h11,13H,4-10H2,1-3H3
InChIKeyXISDQYNHKJICPM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate

tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate (PubChem CID 56526939) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate
PubChem CID56526939
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-12(16)10-15-7-5-4-6-11(15)13-17-8-9-18-13/h11,13H,4-10H2,1-3H3
InChIKeyXISDQYNHKJICPM-UHFFFAOYSA-N
XLogP1.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
CID 111106840
tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255220
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395
N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
CID 56501336
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
ethyl 2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]acetate
CID 124670169
N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
CID 56501604
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501329
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate (CID 56526939) is tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCCCC1C1OCCO1.
What is the InChIKey of tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate?
The InChIKey is XISDQYNHKJICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)19-12(16)10-15-7-5-4-6-11(15)13-17-8-9-18-13/h11,13H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate?
tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate has a molecular weight of 271.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 56526939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).