methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride

C15H22ClNO3 — CID 45263989

IUPACmethyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1ccc(OC)cc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13;/h6-9,13-14,16H,3-5,10H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyDMATXOBUUXRKEV-IODNYQNNSA-N
MW299.80 g/mol
LogP2.52
Rot. Bonds4

About methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride

methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (PubChem CID 45263989) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
PubChem CID45263989
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namemethyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
SMILESCOC(=O)[C@@H](c1ccc(OC)cc1)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13;/h6-9,13-14,16H,3-5,10H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyDMATXOBUUXRKEV-IODNYQNNSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride (CID 45263989) is methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is COC(=O)[C@@H](c1ccc(OC)cc1)[C@@H]1CCCCN1.Cl.
What is the InChIKey of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
The InChIKey is DMATXOBUUXRKEV-IODNYQNNSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-18-12-8-6-11(7-9-12)14(15(17)19-2)13-5-3-4-10-16-13;/h6-9,13-14,16H,3-5,10H2,1-2H3;1H/t13-,14-;/m0./s1.
What are the key properties of methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride?
methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-methoxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 45263989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).