tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate

C14H25NO3 — CID 10858066

IUPACtert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate
SMILESCCC[C@@H]1CCC[C@H](C=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-7-11-8-6-9-12(10-16)15(11)13(17)18-14(2,3)4/h10-12H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyGUGNNKHWRAMGGO-VXGBXAGGSA-N
MW255.36 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate

tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate (PubChem CID 10858066) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate
PubChem CID10858066
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate
SMILESCCC[C@@H]1CCC[C@H](C=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-5-7-11-8-6-9-12(10-16)15(11)13(17)18-14(2,3)4/h10-12H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyGUGNNKHWRAMGGO-VXGBXAGGSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 2-formylpiperidine-1-carboxylate
CID 10656219
tert-butyl (2S)-2-acetylpiperidine-1-carboxylate
CID 11206921
tert-Butyl 2-acetylpiperidine-1-carboxylate
CID 11790941
tert-butyl (2R)-2-formylpiperidine-1-carboxylate
CID 10703805
Tert-butyl 4-(4-oxobutyl)piperidine-1-carboxylate
CID 10777405
Tert-butyl 2-(4-oxobutyl)piperidine-1-carboxylate
CID 16744513
Tert-butyl 2-propanoylpiperidine-1-carboxylate
CID 53415254
tert-butyl (2R)-2-acetylpiperidine-1-carboxylate
CID 57741739
Tert-butyl 4,4-difluoro-2-formylpiperidine-1-carboxylate
CID 89782579
Tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate
CID 129967595
Tert-butyl 6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 163207429
Tert-butyl 2-(2-oxoethyl)piperidine-1-carboxylate
CID 10489483

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate (CID 10858066) is tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate is CCC[C@@H]1CCC[C@H](C=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate?
The InChIKey is GUGNNKHWRAMGGO-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-7-11-8-6-9-12(10-16)15(11)13(17)18-14(2,3)4/h10-12H,5-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate?
tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-2-formyl-6-propylpiperidine-1-carboxylate is sourced from PubChem (CID 10858066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).