tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate

C14H26N2O3 — CID 165474931

IUPACtert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-6-14(15,7-9-16)11-5-4-10-18-11/h11H,4-10,15H2,1-3H3
InChIKeyYTHDCHBLGRGIRZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.89
Rot. Bonds1

About tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate

tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate (PubChem CID 165474931) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate
PubChem CID165474931
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-6-14(15,7-9-16)11-5-4-10-18-11/h11H,4-10,15H2,1-3H3
InChIKeyYTHDCHBLGRGIRZ-UHFFFAOYSA-N
XLogP1.89
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate
CID 165474933
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
(4aR)-6-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a-carboxylic acid
CID 138109764
tert-butyl 4-(2-ethoxy-2-oxoethyl)-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 165456985
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
(4aS,8aR)-6-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a-carboxylic acid;hydrochloride
CID 163335439
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
6-O-tert-butyl 4a-O-ethyl (4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a,6-dicarboxylate
CID 124556089
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-amino-4-isocyanoazepane-1-carboxylate
CID 123170075

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate (CID 165474931) is tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(C2CCCO2)CC1.
What is the InChIKey of tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate?
The InChIKey is YTHDCHBLGRGIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-8-6-14(15,7-9-16)11-5-4-10-18-11/h11H,4-10,15H2,1-3H3.
What are the key properties of tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate?
tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 165474931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).