2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate

C12H20NO4- — CID 6987998

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)[O-])CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/p-1
InChIKeyZXFLMSIMHISJFV-UHFFFAOYSA-M
MW242.29 g/mol
LogP0.77
Rot. Bonds2

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate (PubChem CID 6987998) has the molecular formula C12H20NO4- and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate
PubChem CID6987998
Molecular FormulaC12H20NO4-
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)[O-])CC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/p-1
InChIKeyZXFLMSIMHISJFV-UHFFFAOYSA-M
XLogP0.77
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
CID 11276893
1-Tert-butyl 3-ethyl piperidine-1,3-dicarboxylate
CID 357727
1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 2735647
[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
CID 643516
(3S)-1-((tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 6951168
Ethyl (S)-N-Boc-piperidine-3-carboxylate
CID 1514445
Ethyl 1-((1,1-dimethylethoxy)carbonyl)-4-piperidineacetate
CID 9993342
2-{1-[(Tert-butoxy)carbonyl]-4-hydroxypiperidin-4-yl}acetic acid
CID 10061106
2-[1-(Tert-butoxycarbonyl)piperidin-4-yl]propanoic acid
CID 17781891
Methyl 2-(1-methylpiperidin-4-yl)acetate
CID 19425952

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate (CID 6987998) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate is CC(C)(C)OC(=O)N1CCC(CC(=O)[O-])CC1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate?
The InChIKey is ZXFLMSIMHISJFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate has a molecular weight of 242.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetate is sourced from PubChem (CID 6987998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).