tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate

C16H30N2O3 — CID 115677343

IUPACtert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCOC1
InChIInChI=1S/C16H30N2O3/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyQXFUHERLWNOTRC-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 115677343) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
PubChem CID115677343
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCOC1
InChIInChI=1S/C16H30N2O3/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyQXFUHERLWNOTRC-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4R)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821438
tert-butyl (4S)-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821439
tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
CID 43652193
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 115709686
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103786394
tert-butyl 4-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103980938
tert-butyl (3S)-3-methoxy-4-[1-(oxolan-3-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103904528
tert-butyl 2-methyl-3-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 104955738
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate (CID 115677343) is tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate is CC(NC1CCN(C(=O)OC(C)(C)C)CC1)C1CCOC1.
What is the InChIKey of tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is QXFUHERLWNOTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 115677343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).