ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate

C24H31NO2 — CID 22613843

IUPACethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1(c2cc(C)cc(C)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31NO2/c1-4-27-23(26)17-24(22-15-19(2)14-20(3)16-22)10-12-25(13-11-24)18-21-8-6-5-7-9-21/h5-9,14-16H,4,10-13,17-18H2,1-3H3
InChIKeyVVAMSQBQGJYQJP-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.79
Rot. Bonds6

About ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate

ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate (PubChem CID 22613843) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate
PubChem CID22613843
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Nameethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1(c2cc(C)cc(C)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31NO2/c1-4-27-23(26)17-24(22-15-19(2)14-20(3)16-22)10-12-25(13-11-24)18-21-8-6-5-7-9-21/h5-9,14-16H,4,10-13,17-18H2,1-3H3
InChIKeyVVAMSQBQGJYQJP-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate (CID 22613843) is ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate is CCOC(=O)CC1(c2cc(C)cc(C)c2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate?
The InChIKey is VVAMSQBQGJYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-4-27-23(26)17-24(22-15-19(2)14-20(3)16-22)10-12-25(13-11-24)18-21-8-6-5-7-9-21/h5-9,14-16H,4,10-13,17-18H2,1-3H3.
What are the key properties of ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate?
ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate has a molecular weight of 365.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]acetate is sourced from PubChem (CID 22613843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).