N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

C16H26N2O2 — CID 2838290

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN(C)C2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-17-9-7-14(8-10-17)18(2)12-13-5-6-15(19-3)11-16(13)20-4/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyMUIFMSUKSBLACZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 2838290) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID2838290
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN(C)C2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-17-9-7-14(8-10-17)18(2)12-13-5-6-15(19-3)11-16(13)20-4/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyMUIFMSUKSBLACZ-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
N-[(3-bromo-4-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838335
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904927
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
CID 175393000
cis-(1S,2S)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine
CID 124861935

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 2838290) is N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is COc1ccc(CN(C)C2CCN(C)CC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is MUIFMSUKSBLACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-9-7-14(8-10-17)18(2)12-13-5-6-15(19-3)11-16(13)20-4/h5-6,11,14H,7-10,12H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 2838290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).