3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline

C15H24N2O — CID 62655260

IUPAC3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCOCc1cccc(NCC2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-17-8-6-13(7-9-17)11-16-15-5-3-4-14(10-15)12-18-2/h3-5,10,13,16H,6-9,11-12H2,1-2H3
InChIKeyNKTQJDKDPUHNJE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds5

About 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline

3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 62655260) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID62655260
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCOCc1cccc(NCC2CCN(C)CC2)c1
InChIInChI=1S/C15H24N2O/c1-17-8-6-13(7-9-17)11-16-15-5-3-4-14(10-15)12-18-2/h3-5,10,13,16H,6-9,11-12H2,1-2H3
InChIKeyNKTQJDKDPUHNJE-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707110
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610673
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
CID 62657531
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
(3aS,7aR)-1-[3-(methoxymethyl)phenyl]sulfonyl-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 166255301

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 62655260) is 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline is COCc1cccc(NCC2CCN(C)CC2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is NKTQJDKDPUHNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17-8-6-13(7-9-17)11-16-15-5-3-4-14(10-15)12-18-2/h3-5,10,13,16H,6-9,11-12H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline?
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 62655260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).