tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate

C12H24N2O3 — CID 83851170

IUPACtert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
SMILESCC1CC(O)(CN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9-7-12(16,8-13)5-6-14(9)10(15)17-11(2,3)4/h9,16H,5-8,13H2,1-4H3
InChIKeyPEOMYOVAOOZMEG-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.10
Rot. Bonds1

About tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate (PubChem CID 83851170) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
PubChem CID83851170
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
SMILESCC1CC(O)(CN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9-7-12(16,8-13)5-6-14(9)10(15)17-11(2,3)4/h9,16H,5-8,13H2,1-4H3
InChIKeyPEOMYOVAOOZMEG-UHFFFAOYSA-N
XLogP1.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S,4S)-4-hydroxy-2-methyl-4-(2-methylpropyl)piperidine-1-carboxylate
CID 129410392
tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
CID 156630485
tert-butyl 5-(aminomethyl)-2-azabicyclo[3.1.1]heptane-2-carboxylate
CID 135393135
tert-butyl (5R,7S)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 70169773
tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 172783683
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 23565394
tert-butyl (2S,4S)-4-hydroxy-4-(4-hydroxyphenyl)-2-methylpiperidine-1-carboxylate
CID 101245803
tert-butyl (5S,9S)-9-methyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 176830182
tert-butyl 4-(3-bromophenyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 166008850
tert-butyl 3,3-dichloro-6-methyl-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 168954589
tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate
CID 66568135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate (CID 83851170) is tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate is CC1CC(O)(CN)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate?
The InChIKey is PEOMYOVAOOZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9-7-12(16,8-13)5-6-14(9)10(15)17-11(2,3)4/h9,16H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 83851170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).