methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate

C14H18ClNO2 — CID 23928172

IUPACmethyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cccc(Cl)c1)[C@@H]1CCCCN1
InChIInChI=1S/C14H18ClNO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13+/m0/s1
InChIKeyQFEWAERCGCLJNU-QWHCGFSZSA-N
MW267.76 g/mol
LogP2.74
Rot. Bonds3

About methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate

methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate (PubChem CID 23928172) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
PubChem CID23928172
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cccc(Cl)c1)[C@@H]1CCCCN1
InChIInChI=1S/C14H18ClNO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13+/m0/s1
InChIKeyQFEWAERCGCLJNU-QWHCGFSZSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate (CID 23928172) is methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate is COC(=O)[C@H](c1cccc(Cl)c1)[C@@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate?
The InChIKey is QFEWAERCGCLJNU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13+/m0/s1.
What are the key properties of methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate?
methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate has a molecular weight of 267.76 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate is sourced from PubChem (CID 23928172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).