benzyl 4-amino-3-methoxypiperidine-1-carboxylate

C14H20N2O3 — CID 77271966

IUPACbenzyl 4-amino-3-methoxypiperidine-1-carboxylate
SMILESCOC1CN(C(=O)OCc2ccccc2)CCC1N
InChIInChI=1S/C14H20N2O3/c1-18-13-9-16(8-7-12(13)15)14(17)19-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3
InChIKeyOMPQDSCQQOWFJN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.37
Rot. Bonds3

About benzyl 4-amino-3-methoxypiperidine-1-carboxylate

benzyl 4-amino-3-methoxypiperidine-1-carboxylate (PubChem CID 77271966) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl 4-amino-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-amino-3-methoxypiperidine-1-carboxylate
PubChem CID77271966
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl 4-amino-3-methoxypiperidine-1-carboxylate
SMILESCOC1CN(C(=O)OCc2ccccc2)CCC1N
InChIInChI=1S/C14H20N2O3/c1-18-13-9-16(8-7-12(13)15)14(17)19-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3
InChIKeyOMPQDSCQQOWFJN-UHFFFAOYSA-N
XLogP1.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-amino-3-methoxypiperidine-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

benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
CID 70943335
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
benzyl 4-amino-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate
CID 72529595
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-methoxy-4-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 130892793
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one
CID 56875991
benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 155921089
benzyl 3-fluoro-4-methoxypyrrolidine-1-carboxylate
CID 20746063

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-3-methoxypiperidine-1-carboxylate?
The IUPAC name of benzyl 4-amino-3-methoxypiperidine-1-carboxylate (CID 77271966) is benzyl 4-amino-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-amino-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-amino-3-methoxypiperidine-1-carboxylate is COC1CN(C(=O)OCc2ccccc2)CCC1N.
What is the InChIKey of benzyl 4-amino-3-methoxypiperidine-1-carboxylate?
The InChIKey is OMPQDSCQQOWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-9-16(8-7-12(13)15)14(17)19-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3.
What are the key properties of benzyl 4-amino-3-methoxypiperidine-1-carboxylate?
benzyl 4-amino-3-methoxypiperidine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 77271966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).