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

C14H19Cl2NO2 — CID 45259420

IUPACmethyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H18ClNO2.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
InChIKeyFNWXELQBKRXOHZ-QNTKWALQSA-N
MW304.22 g/mol
LogP3.16
Rot. Bonds3

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

methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 45259420) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID45259420
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Namemethyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H18ClNO2.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
InChIKeyFNWXELQBKRXOHZ-QNTKWALQSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 45259420) is methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is COC(=O)[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is FNWXELQBKRXOHZ-QNTKWALQSA-N. The full InChI is InChI=1S/C14H18ClNO2.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-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 304.22 g/mol, XLogP of 3.16, 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-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 45259420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).