[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate

C12H22N2O2 — CID 79346381

IUPAC[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OC2CC(CN)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-3-2-4-14(8-9)12(15)16-11-5-10(6-11)7-13/h9-11H,2-8,13H2,1H3
InChIKeyWKCCQBBDMJJOHQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.59
Rot. Bonds2

About [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate

[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate (PubChem CID 79346381) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate
PubChem CID79346381
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OC2CC(CN)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-3-2-4-14(8-9)12(15)16-11-5-10(6-11)7-13/h9-11H,2-8,13H2,1H3
InChIKeyWKCCQBBDMJJOHQ-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)cyclobutyl] 3-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

2-bromoethyl 3-methylpiperidine-1-carboxylate
CID 103970529
2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
CID 65173275
(3-aminocyclobutyl) pyrrolidine-1-carboxylate
CID 79346584
3-methylpiperidine-1-carboxamide
CID 16786142
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 112622398
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159225
3-methylpiperidine-1-carboxylic acid
CID 22047728
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
ethyl 2-[3-(aminomethyl)piperidin-1-yl]-2-oxoacetate
CID 117126470
1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108520535
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
CID 174823448

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate?
The IUPAC name of [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate (CID 79346381) is [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate.
What is the SMILES notation for [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate?
The canonical SMILES for [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate is CC1CCCN(C(=O)OC2CC(CN)C2)C1.
What is the InChIKey of [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate?
The InChIKey is WKCCQBBDMJJOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-3-2-4-14(8-9)12(15)16-11-5-10(6-11)7-13/h9-11H,2-8,13H2,1H3.
What are the key properties of [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate?
[3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclobutyl] 3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 79346381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).