1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one

C15H21NO2 — CID 134307745

IUPAC1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
SMILESCOc1ccc(CN2C(C)CC(=O)CC2C)cc1
InChIInChI=1S/C15H21NO2/c1-11-8-14(17)9-12(2)16(11)10-13-4-6-15(18-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyXJSRLZXYHLKQFA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one

1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one (PubChem CID 134307745) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
PubChem CID134307745
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
SMILESCOc1ccc(CN2C(C)CC(=O)CC2C)cc1
InChIInChI=1S/C15H21NO2/c1-11-8-14(17)9-12(2)16(11)10-13-4-6-15(18-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyXJSRLZXYHLKQFA-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methoxydine
CID 15100753
2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 367137
1-(4-Methoxybenzyl)azepane
CID 763595
alpha-(4-Methoxyphenyl)-4-morpholineacetonitrile
CID 85814
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
N-methyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]butan-1-amine
CID 9836681
1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473
1-[[4-(1-Propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]azepane
CID 9902060
N-ethyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethanamine
CID 9944320
4-[4-(Piperidin-1-ylmethyl)phenoxy]-1-propan-2-ylpiperidine
CID 9966707
N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine
CID 10131721

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one (CID 134307745) is 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one is COc1ccc(CN2C(C)CC(=O)CC2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one?
The InChIKey is XJSRLZXYHLKQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-14(17)9-12(2)16(11)10-13-4-6-15(18-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one?
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one is sourced from PubChem (CID 134307745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).