tert-butyl 2-propylpiperidine-1-carboxylate

C13H25NO2 — CID 22620198

IUPACtert-butyl 2-propylpiperidine-1-carboxylate
SMILESCCCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBSJFWSMKEACQPT-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl 2-propylpiperidine-1-carboxylate

tert-butyl 2-propylpiperidine-1-carboxylate (PubChem CID 22620198) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-propylpiperidine-1-carboxylate
PubChem CID22620198
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-propylpiperidine-1-carboxylate
SMILESCCCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBSJFWSMKEACQPT-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 86313536
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate
CID 11130679
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-(2-cyclopropyl-2-oxoethyl)piperidine-1-carboxylate
CID 79536550
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-propylpiperidine-1-carboxylate (CID 22620198) is tert-butyl 2-propylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-propylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-propylpiperidine-1-carboxylate is CCCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-propylpiperidine-1-carboxylate?
The InChIKey is BSJFWSMKEACQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-propylpiperidine-1-carboxylate?
tert-butyl 2-propylpiperidine-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propylpiperidine-1-carboxylate is sourced from PubChem (CID 22620198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).