[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride

C14H20ClNO3 — CID 171195107

IUPAC[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
SMILESCOc1cc([C@@H]2CCCCN2)ccc1OC(C)=O.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-10(16)18-13-7-6-11(9-14(13)17-2)12-5-3-4-8-15-12;/h6-7,9,12,15H,3-5,8H2,1-2H3;1H/t12-;/m0./s1
InChIKeyDPOWPAFDVPLUPE-YDALLXLXSA-N
MW285.77 g/mol
LogP2.86
Rot. Bonds3

About [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride

[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride (PubChem CID 171195107) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride.

Molecular Properties

Compound Name[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
PubChem CID171195107
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
SMILESCOc1cc([C@@H]2CCCCN2)ccc1OC(C)=O.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-10(16)18-13-7-6-11(9-14(13)17-2)12-5-3-4-8-15-12;/h6-7,9,12,15H,3-5,8H2,1-2H3;1H/t12-;/m0./s1
InChIKeyDPOWPAFDVPLUPE-YDALLXLXSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
CID 171197397
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171194561
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
[3-[(2R)-piperidin-2-yl]phenyl] acetate
CID 131481230
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
CID 171252600
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
acetic acid;(3-piperidin-2-ylphenyl) acetate
CID 162323742
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
CID 131531579
4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
2-(3-methoxy-4-nitrophenyl)azepane
CID 113452612

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride?
The IUPAC name of [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride (CID 171195107) is [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride.
What is the SMILES notation for [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride?
The canonical SMILES for [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride is COc1cc([C@@H]2CCCCN2)ccc1OC(C)=O.Cl.
What is the InChIKey of [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride?
The InChIKey is DPOWPAFDVPLUPE-YDALLXLXSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-10(16)18-13-7-6-11(9-14(13)17-2)12-5-3-4-8-15-12;/h6-7,9,12,15H,3-5,8H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride?
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride is sourced from PubChem (CID 171195107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).