tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate

C13H25NO3 — CID 68596422

IUPACtert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(C)(C)O)C1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-8-6-7-10(9-14)13(4,5)16/h10,16H,6-9H2,1-5H3
InChIKeyYWEVUDVELZDXRD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.40
Rot. Bonds1

About tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate

tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate (PubChem CID 68596422) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
PubChem CID68596422
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(C)(C)O)C1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-8-6-7-10(9-14)13(4,5)16/h10,16H,6-9H2,1-5H3
InChIKeyYWEVUDVELZDXRD-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 3-(2-fluoropropan-2-yl)pyrrolidine-1-carboxylate;2-fluoropropan-2-ylcyclopentane;methane;hydrochloride
CID 165093214
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
zinc tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate
CID 152945495
tert-butyl 3-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 86615128
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 156540665
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate (CID 68596422) is tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(C)(C)O)C1.
What is the InChIKey of tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
The InChIKey is YWEVUDVELZDXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-8-6-7-10(9-14)13(4,5)16/h10,16H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68596422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).