tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate

C12H24N2O3 — CID 82664676

IUPACtert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CN)(CO)C1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-4-5-12(7-13,8-14)9-15/h15H,4-9,13H2,1-3H3
InChIKeyGEBUIJLISCWICT-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.95
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 82664676) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID82664676
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CN)(CO)C1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-4-5-12(7-13,8-14)9-15/h15H,4-9,13H2,1-3H3
InChIKeyGEBUIJLISCWICT-UHFFFAOYSA-N
XLogP0.95
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 84712731
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate
CID 130577882
tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 16723836
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate (CID 82664676) is tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CN)(CO)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is GEBUIJLISCWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-4-5-12(7-13,8-14)9-15/h15H,4-9,13H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 82664676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).