(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride

C14H20ClNO2 — CID 115004226

IUPAC(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCOc1ccc(C(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-10-9-12(17-2)3-4-13(10)14(16)11-5-7-15-8-6-11;/h3-4,9,11,15H,5-8H2,1-2H3;1H
InChIKeyJCJNDJXKFSRJBH-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.61
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride

(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 115004226) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID115004226
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCOc1ccc(C(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-10-9-12(17-2)3-4-13(10)14(16)11-5-7-15-8-6-11;/h3-4,9,11,15H,5-8H2,1-2H3;1H
InChIKeyJCJNDJXKFSRJBH-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105084741
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride (CID 115004226) is (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride is COc1ccc(C(=O)C2CCNCC2)c(C)c1.Cl.
What is the InChIKey of (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is JCJNDJXKFSRJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-10-9-12(17-2)3-4-13(10)14(16)11-5-7-15-8-6-11;/h3-4,9,11,15H,5-8H2,1-2H3;1H.
What are the key properties of (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride?
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 115004226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).