tert-butyl 2-(propylamino)piperidine-1-carboxylate

C13H26N2O2 — CID 141154909

IUPACtert-butyl 2-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-9-14-11-8-6-7-10-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyHALNSWZIJXHTCI-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl 2-(propylamino)piperidine-1-carboxylate

tert-butyl 2-(propylamino)piperidine-1-carboxylate (PubChem CID 141154909) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-(propylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(propylamino)piperidine-1-carboxylate
PubChem CID141154909
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-9-14-11-8-6-7-10-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyHALNSWZIJXHTCI-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724491
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111085901
tert-butyl (2S)-2-butanoylpiperidine-1-carboxylate
CID 165464367
tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate
CID 91971112
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl (2R)-2-(2-hydrazinyl-2-oxoethyl)piperidine-1-carboxylate
CID 126582665
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl 2-ethoxyazocane-1-carboxylate
CID 101126041

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(propylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(propylamino)piperidine-1-carboxylate (CID 141154909) is tert-butyl 2-(propylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(propylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(propylamino)piperidine-1-carboxylate is CCCNC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(propylamino)piperidine-1-carboxylate?
The InChIKey is HALNSWZIJXHTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-9-14-11-8-6-7-10-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-(propylamino)piperidine-1-carboxylate?
tert-butyl 2-(propylamino)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(propylamino)piperidine-1-carboxylate is sourced from PubChem (CID 141154909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).