4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride

C13H20ClNO2 — CID 118993415

IUPAC4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
SMILESCOc1ccc(C)cc1OC1CCNCC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10-3-4-12(15-2)13(9-10)16-11-5-7-14-8-6-11;/h3-4,9,11,14H,5-8H2,1-2H3;1H
InChIKeySNRHSNFRWBOFRF-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.56
Rot. Bonds3

About 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride

4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride (PubChem CID 118993415) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
PubChem CID118993415
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
SMILESCOc1ccc(C)cc1OC1CCNCC1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10-3-4-12(15-2)13(9-10)16-11-5-7-14-8-6-11;/h3-4,9,11,14H,5-8H2,1-2H3;1H
InChIKeySNRHSNFRWBOFRF-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142884364
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4-(2-bromo-4-methylphenoxy)piperidine
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4-(2-tert-butyl-5-methylphenoxy)piperidine
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4-(5-methyl-2-propan-2-ylphenoxy)piperidine
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4-methoxy-3-piperidin-4-yloxybenzoic acid
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4-[(2-methoxy-5-methylphenyl)methoxy]piperidine
CID 62159793
4-(5-methyl-2-nitrophenoxy)piperidine
CID 20735388
4-(2-methoxy-4-propylphenoxy)piperidine;hydrochloride
CID 56831182
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
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3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride (CID 118993415) is 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride is COc1ccc(C)cc1OC1CCNCC1.Cl.
What is the InChIKey of 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride?
The InChIKey is SNRHSNFRWBOFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-10-3-4-12(15-2)13(9-10)16-11-5-7-14-8-6-11;/h3-4,9,11,14H,5-8H2,1-2H3;1H.
What are the key properties of 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride?
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 118993415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).