tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate

C16H30N2O2 — CID 86276705

IUPACtert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(CC2CCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-9-7-16(12-17,8-10-18)11-13-5-4-6-13/h13H,4-12,17H2,1-3H3
InChIKeyGNYFVKRKGRLNBC-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate (PubChem CID 86276705) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate
PubChem CID86276705
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(CC2CCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-9-7-16(12-17,8-10-18)11-13-5-4-6-13/h13H,4-12,17H2,1-3H3
InChIKeyGNYFVKRKGRLNBC-UHFFFAOYSA-N
XLogP3.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
4-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 21061045
tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
CID 168999917
tert-butyl 4-(hydroxymethyl)-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 165443899
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 56962135
tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 57425738
3-(cyclobutylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 79422859

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate (CID 86276705) is tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)(CC2CCC2)CC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate?
The InChIKey is GNYFVKRKGRLNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-9-7-16(12-17,8-10-18)11-13-5-4-6-13/h13H,4-12,17H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 86276705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).