ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate

C23H29NO3 — CID 67144991

IUPACethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCC(Cc3cccc(C)c3)(OC)CC2)cc1
InChIInChI=1S/C23H29NO3/c1-4-27-22(25)20-8-10-21(11-9-20)24-14-12-23(26-3,13-15-24)17-19-7-5-6-18(2)16-19/h5-11,16H,4,12-15,17H2,1-3H3
InChIKeyBSJGSOMNBTYYPF-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.40
Rot. Bonds6

About ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate

ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate (PubChem CID 67144991) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate
PubChem CID67144991
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nameethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCC(Cc3cccc(C)c3)(OC)CC2)cc1
InChIInChI=1S/C23H29NO3/c1-4-27-22(25)20-8-10-21(11-9-20)24-14-12-23(26-3,13-15-24)17-19-7-5-6-18(2)16-19/h5-11,16H,4,12-15,17H2,1-3H3
InChIKeyBSJGSOMNBTYYPF-UHFFFAOYSA-N
XLogP4.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate (CID 67144991) is ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate is CCOC(=O)c1ccc(N2CCC(Cc3cccc(C)c3)(OC)CC2)cc1.
What is the InChIKey of ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate?
The InChIKey is BSJGSOMNBTYYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-27-22(25)20-8-10-21(11-9-20)24-14-12-23(26-3,13-15-24)17-19-7-5-6-18(2)16-19/h5-11,16H,4,12-15,17H2,1-3H3.
What are the key properties of ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate?
ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate has a molecular weight of 367.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-methoxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]benzoate is sourced from PubChem (CID 67144991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).