methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate

C15H21NO2 — CID 11242072

IUPACmethyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)11-14-9-5-6-10-16(14)12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-/m0/s1
InChIKeyGMACJDSFVJXSTG-AWEZNQCLSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate

methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate (PubChem CID 11242072) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate
PubChem CID11242072
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)11-14-9-5-6-10-16(14)12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-/m0/s1
InChIKeyGMACJDSFVJXSTG-AWEZNQCLSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate (CID 11242072) is methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate is COC(=O)C[C@@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate?
The InChIKey is GMACJDSFVJXSTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)11-14-9-5-6-10-16(14)12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-/m0/s1.
What are the key properties of methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate?
methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate has a molecular weight of 247.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-1-benzylpiperidin-2-yl]acetate is sourced from PubChem (CID 11242072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).