1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone

C16H24N2O2 — CID 43607598

IUPAC1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)C1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-12(19)13-4-5-16(20-3)14(10-13)11-18(2)15-6-8-17-9-7-15/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyFNUUFMVNCUUDPR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds5

About 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone

1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone (PubChem CID 43607598) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
PubChem CID43607598
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)C1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-12(19)13-4-5-16(20-3)14(10-13)11-18(2)15-6-8-17-9-7-15/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyFNUUFMVNCUUDPR-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
CID 43789493
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 63299582
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
CID 119443099
methyl 4-chloro-3-[[methyl(piperidin-4-yl)amino]methyl]benzoate;hydrochloride
CID 120835241
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913258
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone (CID 43607598) is 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CN(C)C1CCNCC1.
What is the InChIKey of 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone?
The InChIKey is FNUUFMVNCUUDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(19)13-4-5-16(20-3)14(10-13)11-18(2)15-6-8-17-9-7-15/h4-5,10,15,17H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 43607598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).