(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate

C13H23NO4 — CID 57101274

IUPAC(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)OC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-5-14-8-6-10(7-9-14)11(15)17-12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyCSQDFAQUOKYHGG-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.20
Rot. Bonds2

About (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate

(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate (PubChem CID 57101274) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate
PubChem CID57101274
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)OC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-5-14-8-6-10(7-9-14)11(15)17-12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyCSQDFAQUOKYHGG-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate
CID 175395420
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate
CID 126454918
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-[2-(1-ethylpiperidin-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 129124758
tert-butyl cyclopropanecarboxylate
CID 157212632
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide
CID 140887943
tert-butyl 1-(acetylsulfanylmethyl)piperidine-4-carboxylate
CID 150933805
1-ethylpiperidine-4-carboxylate
CID 22406282
tert-butyl 4-[(1-ethylpiperidin-4-yl)amino]azepane-1-carboxylate
CID 103981745
tert-butyl 4-[(4-cyanopiperidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 141128389

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate (CID 57101274) is (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate is CCN1CCC(C(=O)OC(=O)OC(C)(C)C)CC1.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate?
The InChIKey is CSQDFAQUOKYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-14-8-6-10(7-9-14)11(15)17-12(16)18-13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate?
(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 57101274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).