Home > Compound List > Compound details
885270-29-1 molecular structure
click picture or here to close

methyl 3-amino-1-benzylpiperidine-3-carboxylate

ChemBase ID: 236763
Molecular Formular: C14H20N2O2
Molecular Mass: 248.3208
Monoisotopic Mass: 248.15247789
SMILES and InChIs

SMILES:
C1(C(=O)OC)(CN(Cc2ccccc2)CCC1)N
Canonical SMILES:
COC(=O)C1(N)CCCN(C1)Cc1ccccc1
InChI:
InChI=1S/C14H20N2O2/c1-18-13(17)14(15)8-5-9-16(11-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,15H2,1H3
InChIKey:
RVOVJXXETIQTGF-UHFFFAOYSA-N

Cite this record

CBID:236763 http://www.chembase.cn/molecule-236763.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-amino-1-benzylpiperidine-3-carboxylate
IUPAC Traditional name
methyl 3-amino-1-benzylpiperidine-3-carboxylate
Synonyms
methyl 3-amino-1-benzylpiperidine-3-carboxylate
3-AMINO-1-BENZYL-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER
CAS Number
885270-29-1
MDL Number
MFCD04114484
PubChem SID
164292673
PubChem CID
53249799

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53249799 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4519519  LogD (pH = 7.4) 0.29656753 
Log P 1.4352478  Molar Refractivity 70.6552 cm3
Polarizability 28.147392 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.797 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle