methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate

C11H19NO3 — CID 10727314

IUPACmethyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
SMILESCCC[C@H]1CCC[C@@H](C=O)N1C(=O)OC
InChIInChI=1S/C11H19NO3/c1-3-5-9-6-4-7-10(8-13)12(9)11(14)15-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeySOXQHKVZSUOWSG-UWVGGRQHSA-N
MW213.28 g/mol
LogP1.97
Rot. Bonds3

About methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate

methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate (PubChem CID 10727314) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
PubChem CID10727314
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
SMILESCCC[C@H]1CCC[C@@H](C=O)N1C(=O)OC
InChIInChI=1S/C11H19NO3/c1-3-5-9-6-4-7-10(8-13)12(9)11(14)15-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeySOXQHKVZSUOWSG-UWVGGRQHSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
CID 101061873
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477
methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate
CID 10422764
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
CID 150419156
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
CID 134856290
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
methyl 2-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 175911487
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850
methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 93233748

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate (CID 10727314) is methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate is CCC[C@H]1CCC[C@@H](C=O)N1C(=O)OC.
What is the InChIKey of methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate?
The InChIKey is SOXQHKVZSUOWSG-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-5-9-6-4-7-10(8-13)12(9)11(14)15-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate?
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate is sourced from PubChem (CID 10727314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).