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

C16H32N2O2 — CID 106632857

IUPACtert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)CCNCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)9-10-17-12-14-8-6-7-11-18(14)15(19)20-16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyAIUVVIWGVONMJU-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds5

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

tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate (PubChem CID 106632857) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
PubChem CID106632857
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)CCNCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)9-10-17-12-14-8-6-7-11-18(14)15(19)20-16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyAIUVVIWGVONMJU-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[(3-hydroxypropylamino)methyl]piperidine-1-carboxylate
CID 106633029
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]piperidine-1-carboxylate
CID 106633105
tert-butyl 2-[[2-(2-methylpropoxy)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106639475
tert-butyl 2-[[(2-hydroxy-4-methylpentyl)amino]methyl]piperidine-1-carboxylate
CID 107151646
tert-butyl 2-[(2-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106633895
tert-butyl 2-[[3-(diethylamino)propylamino]methyl]piperidine-1-carboxylate
CID 106632886
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931
tert-butyl 2-[(pent-4-ynylamino)methyl]pyrrolidine-1-carboxylate
CID 106220536
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate (CID 106632857) is tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate is CC(C)CCNCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate?
The InChIKey is AIUVVIWGVONMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)9-10-17-12-14-8-6-7-11-18(14)15(19)20-16(3,4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 106632857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).