tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate

C14H25NO4 — CID 165494987

IUPACtert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate
SMILESCCCOC1(C=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-5-10-18-14(11-16)6-8-15(9-7-14)12(17)19-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyXLRAXKRCXNKYJU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate

tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate (PubChem CID 165494987) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate
PubChem CID165494987
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate
SMILESCCCOC1(C=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-5-10-18-14(11-16)6-8-15(9-7-14)12(17)19-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyXLRAXKRCXNKYJU-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
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

tert-butyl 3-(hydroxymethyl)-3-propoxypyrrolidine-1-carboxylate
CID 165494931
tert-butyl 4-(iodomethyl)-4-(2-propoxyethoxy)piperidine-1-carboxylate
CID 104969696
tert-butyl 4-formyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 130743558
tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
CID 124562501
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl (3S)-3-(ethoxymethyl)-3-formylpyrrolidine-1-carboxylate
CID 135329993
tert-butyl (3R)-3-(ethoxymethyl)-3-formylpyrrolidine-1-carboxylate
CID 140909090
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate
CID 166935935
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate (CID 165494987) is tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate is CCCOC1(C=O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate?
The InChIKey is XLRAXKRCXNKYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-10-18-14(11-16)6-8-15(9-7-14)12(17)19-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate?
tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate is sourced from PubChem (CID 165494987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).