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

C14H20ClNO2 — CID 45259401

IUPACmethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H/t12-,13-;/m0./s1
InChIKeyJUMYIBMBTDDLNG-QNTKWALQSA-N
MW269.77 g/mol
LogP2.51
Rot. Bonds3

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

methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 45259401) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID45259401
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H/t12-,13-;/m0./s1
InChIKeyJUMYIBMBTDDLNG-QNTKWALQSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 45259401) is methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is JUMYIBMBTDDLNG-QNTKWALQSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H/t12-,13-;/m0./s1.
What are the key properties of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 45259401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).