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

C15H22ClNO2 — CID 11358065

IUPACethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3;1H/t13-,14-;/m0./s1
InChIKeyZNSNAOXTBUHNKX-IODNYQNNSA-N
MW283.80 g/mol
LogP2.90
Rot. Bonds4

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

ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 11358065) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID11358065
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Nameethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3;1H/t13-,14-;/m0./s1
InChIKeyZNSNAOXTBUHNKX-IODNYQNNSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 11358065) is ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is ZNSNAOXTBUHNKX-IODNYQNNSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3;1H/t13-,14-;/m0./s1.
What are the key properties of ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 11358065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).