methyl 4-aminopiperidine-4-carboxylate

C7H14N2O2 — CID 22907215

IUPACmethyl 4-aminopiperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCNCC1
InChIInChI=1S/C7H14N2O2/c1-11-6(10)7(8)2-4-9-5-3-7/h9H,2-5,8H2,1H3
InChIKeyJAEORFRKLBYOOJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.76
Rot. Bonds1

About methyl 4-aminopiperidine-4-carboxylate

methyl 4-aminopiperidine-4-carboxylate (PubChem CID 22907215) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 4-aminopiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminopiperidine-4-carboxylate
PubChem CID22907215
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 4-aminopiperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCNCC1
InChIInChI=1S/C7H14N2O2/c1-11-6(10)7(8)2-4-9-5-3-7/h9H,2-5,8H2,1H3
InChIKeyJAEORFRKLBYOOJ-UHFFFAOYSA-N
XLogP-0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-aminopiperidine-4-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

methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
4-aminopiperidine-4-carboxylic acid;dihydrochloride
CID 22907088
4-amino-N-tert-butylpiperidine-4-carboxamide
CID 20823406
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
methyl 4-ethynylpiperidine-4-carboxylate
CID 167730747
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate;hydrochloride
CID 67170841
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
methyl 1-amino-4-(2-methoxyethyl)cyclohexane-1-carboxylate
CID 71254204
4-methoxypiperidin-4-amine
CID 105427555
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;hydrochloride
CID 67216420

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminopiperidine-4-carboxylate?
The IUPAC name of methyl 4-aminopiperidine-4-carboxylate (CID 22907215) is methyl 4-aminopiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-aminopiperidine-4-carboxylate?
The canonical SMILES for methyl 4-aminopiperidine-4-carboxylate is COC(=O)C1(N)CCNCC1.
What is the InChIKey of methyl 4-aminopiperidine-4-carboxylate?
The InChIKey is JAEORFRKLBYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-6(10)7(8)2-4-9-5-3-7/h9H,2-5,8H2,1H3.
What are the key properties of methyl 4-aminopiperidine-4-carboxylate?
methyl 4-aminopiperidine-4-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminopiperidine-4-carboxylate is sourced from PubChem (CID 22907215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).