3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline

C14H22N2O — CID 79707110

IUPAC3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
SMILESCOCc1cccc(NCC2CCNCC2)c1
InChIInChI=1S/C14H22N2O/c1-17-11-13-3-2-4-14(9-13)16-10-12-5-7-15-8-6-12/h2-4,9,12,15-16H,5-8,10-11H2,1H3
InChIKeyWEPLFPKGLQWCQU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.24
Rot. Bonds5

About 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline

3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline (PubChem CID 79707110) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
PubChem CID79707110
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
SMILESCOCc1cccc(NCC2CCNCC2)c1
InChIInChI=1S/C14H22N2O/c1-17-11-13-3-2-4-14(9-13)16-10-12-5-7-15-8-6-12/h2-4,9,12,15-16H,5-8,10-11H2,1H3
InChIKeyWEPLFPKGLQWCQU-UHFFFAOYSA-N
XLogP2.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610673
3-(piperidin-4-ylmethylamino)benzoic acid
CID 79707352
N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626703
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115756563
3-(methoxymethyl)-N-methylaniline
CID 23080905
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
CID 144503666

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline (CID 79707110) is 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline is COCc1cccc(NCC2CCNCC2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is WEPLFPKGLQWCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-11-13-3-2-4-14(9-13)16-10-12-5-7-15-8-6-12/h2-4,9,12,15-16H,5-8,10-11H2,1H3.
What are the key properties of 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline?
3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 79707110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).