ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate

C16H23NO2 — CID 154339039

IUPACethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(c1cccc(C)c1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15(17-10-5-4-6-11-17)14-9-7-8-13(2)12-14/h7-9,12,15H,3-6,10-11H2,1-2H3
InChIKeySBOATFVVXHAUSP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.09
Rot. Bonds4

About ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate

ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate (PubChem CID 154339039) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
PubChem CID154339039
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(c1cccc(C)c1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15(17-10-5-4-6-11-17)14-9-7-8-13(2)12-14/h7-9,12,15H,3-6,10-11H2,1-2H3
InChIKeySBOATFVVXHAUSP-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894698
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
CID 97355525
ethyl 2-chloro-2-(3-methylphenyl)acetate
CID 22600133
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 1-[cyano-(3-methylphenyl)methyl]piperidine-4-carboxylate
CID 84756737

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate?
The IUPAC name of ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate (CID 154339039) is ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate is CCOC(=O)C(c1cccc(C)c1)N1CCCCC1.
What is the InChIKey of ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate?
The InChIKey is SBOATFVVXHAUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-16(18)15(17-10-5-4-6-11-17)14-9-7-8-13(2)12-14/h7-9,12,15H,3-6,10-11H2,1-2H3.
What are the key properties of ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate?
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate has a molecular weight of 261.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 154339039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).