tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate

C15H30N2O2 — CID 106632784

IUPACtert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-14(2,3)16-11-12-9-7-8-10-17(12)13(18)19-15(4,5)6/h12,16H,7-11H2,1-6H3
InChIKeyJWDSIIXDESSHRS-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate (PubChem CID 106632784) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
PubChem CID106632784
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-14(2,3)16-11-12-9-7-8-10-17(12)13(18)19-15(4,5)6/h12,16H,7-11H2,1-6H3
InChIKeyJWDSIIXDESSHRS-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638099
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 47442439
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 106633773
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-[(3-hydroxypropylamino)methyl]piperidine-1-carboxylate
CID 106633029
tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate (CID 106632784) is tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate is CC(C)(C)NCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate?
The InChIKey is JWDSIIXDESSHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,3)16-11-12-9-7-8-10-17(12)13(18)19-15(4,5)6/h12,16H,7-11H2,1-6H3.
What are the key properties of tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 106632784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).