tert-butyl 4-propan-2-ylpiperidine-1-carboxylate

C13H25NO2 — CID 22899309

IUPACtert-butyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyRNOVCJYZUWVEDT-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl 4-propan-2-ylpiperidine-1-carboxylate

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 22899309) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID22899309
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyRNOVCJYZUWVEDT-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate;2-methylpropane
CID 142509298
tert-butyl 4-(1-methylsulfonyloxyethyl)piperidine-1-carboxylate
CID 23282886
methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid
CID 142458363
tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170993452
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate (CID 22899309) is tert-butyl 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is RNOVCJYZUWVEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate?
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 22899309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).