methyl 4-anilino-1-benzylpiperidine-4-carboxylate

C20H24N2O2 — CID 2724430

IUPACmethyl 4-anilino-1-benzylpiperidine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3
InChIKeyNPNNCHCGYDKUTA-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.31
Rot. Bonds5

About methyl 4-anilino-1-benzylpiperidine-4-carboxylate

methyl 4-anilino-1-benzylpiperidine-4-carboxylate (PubChem CID 2724430) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 4-anilino-1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-1-benzylpiperidine-4-carboxylate
PubChem CID2724430
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethyl 4-anilino-1-benzylpiperidine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3
InChIKeyNPNNCHCGYDKUTA-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-1-benzylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-anilino-1-benzylpiperidine-4-carboxylate (CID 2724430) is methyl 4-anilino-1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-anilino-1-benzylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-anilino-1-benzylpiperidine-4-carboxylate is COC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 4-anilino-1-benzylpiperidine-4-carboxylate?
The InChIKey is NPNNCHCGYDKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3.
What are the key properties of methyl 4-anilino-1-benzylpiperidine-4-carboxylate?
methyl 4-anilino-1-benzylpiperidine-4-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 2724430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).