tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate

C15H28N2O3 — CID 60920457

IUPACtert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-7-4-13(5-8-17)16-10-12-6-9-19-11-12/h12-13,16H,4-11H2,1-3H3
InChIKeyOLDKTVUZBMRUNQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds3

About tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate

tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate (PubChem CID 60920457) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
PubChem CID60920457
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-7-4-13(5-8-17)16-10-12-6-9-19-11-12/h12-13,16H,4-11H2,1-3H3
InChIKeyOLDKTVUZBMRUNQ-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736
tert-butyl (3R)-3-[(oxan-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 68999639
tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 107095247
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 167013141
tert-butyl 4-[(1-ethylpiperidin-4-yl)methylamino]azepane-1-carboxylate
CID 113361554
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 4-[(2,2-dimethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103729701
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate (CID 60920457) is tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC2CCOC2)CC1.
What is the InChIKey of tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is OLDKTVUZBMRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-7-4-13(5-8-17)16-10-12-6-9-19-11-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 60920457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).