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

C14H20N2O2 — CID 53249799

IUPACmethyl 3-amino-1-benzylpiperidine-3-carboxylate
SMILESCOC(=O)C1(N)CCCN(Cc2ccccc2)C1
InChIInChI=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
InChIKeyRVOVJXXETIQTGF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds3

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

methyl 3-amino-1-benzylpiperidine-3-carboxylate (PubChem CID 53249799) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 3-amino-1-benzylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-benzylpiperidine-3-carboxylate
PubChem CID53249799
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 3-amino-1-benzylpiperidine-3-carboxylate
SMILESCOC(=O)C1(N)CCCN(Cc2ccccc2)C1
InChIInChI=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
InChIKeyRVOVJXXETIQTGF-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-benzylpiperidine-3-carboxylate?
The IUPAC name of methyl 3-amino-1-benzylpiperidine-3-carboxylate (CID 53249799) is methyl 3-amino-1-benzylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 3-amino-1-benzylpiperidine-3-carboxylate?
The canonical SMILES for methyl 3-amino-1-benzylpiperidine-3-carboxylate is COC(=O)C1(N)CCCN(Cc2ccccc2)C1.
What is the InChIKey of methyl 3-amino-1-benzylpiperidine-3-carboxylate?
The InChIKey is RVOVJXXETIQTGF-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of methyl 3-amino-1-benzylpiperidine-3-carboxylate?
methyl 3-amino-1-benzylpiperidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1-benzylpiperidine-3-carboxylate is sourced from PubChem (CID 53249799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).