methyl 1-methyl-4-phenylpiperidine-3-carboxylate

C14H19NO2 — CID 22649572

IUPACmethyl 1-methyl-4-phenylpiperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2/h3-7,12-13H,8-10H2,1-2H3
InChIKeyWMVXAQQBRYETCJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds2

About methyl 1-methyl-4-phenylpiperidine-3-carboxylate

methyl 1-methyl-4-phenylpiperidine-3-carboxylate (PubChem CID 22649572) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 1-methyl-4-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-phenylpiperidine-3-carboxylate
PubChem CID22649572
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 1-methyl-4-phenylpiperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2/h3-7,12-13H,8-10H2,1-2H3
InChIKeyWMVXAQQBRYETCJ-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-phenylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-4-phenylpiperidine-3-carboxylate (CID 22649572) is methyl 1-methyl-4-phenylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-phenylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4-phenylpiperidine-3-carboxylate is COC(=O)C1CN(C)CCC1c1ccccc1.
What is the InChIKey of methyl 1-methyl-4-phenylpiperidine-3-carboxylate?
The InChIKey is WMVXAQQBRYETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2/h3-7,12-13H,8-10H2,1-2H3.
What are the key properties of methyl 1-methyl-4-phenylpiperidine-3-carboxylate?
methyl 1-methyl-4-phenylpiperidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 22649572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).