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

C19H24ClNO2 — CID 171381395

IUPACethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCCOC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-2-22-19(21)18(17-9-5-6-12-20-17)16-11-10-14-7-3-4-8-15(14)13-16;/h3-4,7-8,10-11,13,17-18,20H,2,5-6,9,12H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyUOJLOHIHPJXBLW-CJRXIRLBSA-N
MW333.86 g/mol
LogP4.05
Rot. Bonds4

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

ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 171381395) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID171381395
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Nameethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCCOC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-2-22-19(21)18(17-9-5-6-12-20-17)16-11-10-14-7-3-4-8-15(14)13-16;/h3-4,7-8,10-11,13,17-18,20H,2,5-6,9,12H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyUOJLOHIHPJXBLW-CJRXIRLBSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
methyl 2-piperidin-2-yl-2-(4-tributylstannylphenyl)acetate
CID 10768332
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
(2S)-2-(3-aminophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10799703
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
(4-ethoxyphenyl)-piperidin-2-ylmethanamine
CID 116935668
2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
CID 155433521

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 171381395) is ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is CCOC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is UOJLOHIHPJXBLW-CJRXIRLBSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-2-22-19(21)18(17-9-5-6-12-20-17)16-11-10-14-7-3-4-8-15(14)13-16;/h3-4,7-8,10-11,13,17-18,20H,2,5-6,9,12H2,1H3;1H/t17-,18+;/m0./s1.
What are the key properties of ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-naphthalen-2-yl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 171381395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).