methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride

C14H19ClFNO2 — CID 45263961

IUPACmethyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1cccc(F)c1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H18FNO2.ClH/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;1H/t12-,13-;/m0./s1
InChIKeyFZJKDWFVIATKCV-QNTKWALQSA-N
MW287.76 g/mol
LogP2.65
Rot. Bonds3

About methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride

methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 45263961) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID45263961
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Namemethyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1cccc(F)c1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H18FNO2.ClH/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;1H/t12-,13-;/m0./s1
InChIKeyFZJKDWFVIATKCV-QNTKWALQSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Ethylphenidate
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2-Piperidineacetic acid, alpha-phenyl-
CID 86863
4-Fluoromethylphenidate
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4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, hydrochloride (1:1)
CID 53444519
L-Threo-methylphenidate
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N-Nitrosomethylphenidate
CID 41474

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 45263961) is methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is COC(=O)[C@@H](c1cccc(F)c1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is FZJKDWFVIATKCV-QNTKWALQSA-N. The full InChI is InChI=1S/C14H18FNO2.ClH/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;1H/t12-,13-;/m0./s1.
What are the key properties of methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 287.76 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 45263961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).