(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate

C11H19NO3 — CID 174553162

IUPAC(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C=O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)15-12-6-4-9(8-13)5-7-12/h8-9H,4-7H2,1-3H3
InChIKeyICTISXXRSXVPNB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds2

About (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate

(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 174553162) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
PubChem CID174553162
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C=O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)15-12-6-4-9(8-13)5-7-12/h8-9H,4-7H2,1-3H3
InChIKeyICTISXXRSXVPNB-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174503474
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde
CID 57260487
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784804
(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate
CID 150222079
[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814

Frequently Asked Questions

What is the IUPAC name of (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate (CID 174553162) is (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C=O)CC1.
What is the InChIKey of (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is ICTISXXRSXVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)10(14)15-12-6-4-9(8-13)5-7-12/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate?
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 213.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylpiperidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174553162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).