tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate

C14H26N2O3 — CID 103874776

IUPACtert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNC1COC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-5-4-6-12(16)8-15-11-9-18-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyPZHKIECORGTGEE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds3

About tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 103874776) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
PubChem CID103874776
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNC1COC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-5-4-6-12(16)8-15-11-9-18-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyPZHKIECORGTGEE-UHFFFAOYSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106634012
tert-butyl 2-[[(4,4-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106633982
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[[(3,3-dimethylcyclopentyl)amino]methyl]piperidine-1-carboxylate
CID 106634503
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 103896929
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[(4-ethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638143
tert-butyl 2-[[(1,1-dioxothian-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106636999
tert-butyl 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103748317
tert-butyl 2-[[(3-methoxycarbonylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 112753639
tert-butyl 2-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107248940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate (CID 103874776) is tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNC1COC1.
What is the InChIKey of tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is PZHKIECORGTGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-5-4-6-12(16)8-15-11-9-18-10-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103874776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).