5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline

C14H22N2O — CID 106585865

IUPAC5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline
SMILESCOCC1CCCN(c2ccc(C)c(N)c2)C1
InChIInChI=1S/C14H22N2O/c1-11-5-6-13(8-14(11)15)16-7-3-4-12(9-16)10-17-2/h5-6,8,12H,3-4,7,9-10,15H2,1-2H3
InChIKeyLJOOCZMFRFBCTO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.44
Rot. Bonds3

About 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline

5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline (PubChem CID 106585865) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline
PubChem CID106585865
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline
SMILESCOCC1CCCN(c2ccc(C)c(N)c2)C1
InChIInChI=1S/C14H22N2O/c1-11-5-6-13(8-14(11)15)16-7-3-4-12(9-16)10-17-2/h5-6,8,12H,3-4,7,9-10,15H2,1-2H3
InChIKeyLJOOCZMFRFBCTO-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[3-(methoxymethyl)piperidin-1-yl]-2-nitroaniline
CID 106751923
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
3-[3-(methoxymethyl)piperidin-1-yl]-5-propan-2-yloxyaniline
CID 106585811
2-bromo-4-[3-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 107282373
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
CID 106587670
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridin-3-amine
CID 106585803
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]benzoate
CID 64598858

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline?
The IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline (CID 106585865) is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline?
The canonical SMILES for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline is COCC1CCCN(c2ccc(C)c(N)c2)C1.
What is the InChIKey of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline?
The InChIKey is LJOOCZMFRFBCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-6-13(8-14(11)15)16-7-3-4-12(9-16)10-17-2/h5-6,8,12H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline?
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline is sourced from PubChem (CID 106585865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).