tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate

C16H30N2O3 — CID 103896929

IUPACtert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNCC1CCOC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-8-5-4-6-14(18)11-17-10-13-7-9-20-12-13/h13-14,17H,4-12H2,1-3H3
InChIKeyWDKFFBNVEUOQSD-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate (PubChem CID 103896929) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
PubChem CID103896929
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNCC1CCOC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-8-5-4-6-14(18)11-17-10-13-7-9-20-12-13/h13-14,17H,4-12H2,1-3H3
InChIKeyWDKFFBNVEUOQSD-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402
tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835
tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
CID 103723631
tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 106633797
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
tert-butyl 2-[(cyclohex-3-en-1-ylmethylamino)methyl]piperidine-1-carboxylate
CID 106633840
tert-butyl 2-[(3-hydroxypropylamino)methyl]piperidine-1-carboxylate
CID 106633029
tert-butyl 2-[(1,4-dioxan-2-ylmethylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 71936823
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106632857

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate (CID 103896929) is tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNCC1CCOC1.
What is the InChIKey of tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
The InChIKey is WDKFFBNVEUOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-8-5-4-6-14(18)11-17-10-13-7-9-20-12-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103896929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).