[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine

C15H24N2O — CID 106587897

IUPAC[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
SMILESCOCC1CCCN(c2ccc(CN)cc2C)C1
InChIInChI=1S/C15H24N2O/c1-12-8-13(9-16)5-6-15(12)17-7-3-4-14(10-17)11-18-2/h5-6,8,14H,3-4,7,9-11,16H2,1-2H3
InChIKeyPXXCHEGPALLUKF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds4

About [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine

[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine (PubChem CID 106587897) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
PubChem CID106587897
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
SMILESCOCC1CCCN(c2ccc(CN)cc2C)C1
InChIInChI=1S/C15H24N2O/c1-12-8-13(9-16)5-6-15(12)17-7-3-4-14(10-17)11-18-2/h5-6,8,14H,3-4,7,9-11,16H2,1-2H3
InChIKeyPXXCHEGPALLUKF-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine (CID 106587897) is [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine is COCC1CCCN(c2ccc(CN)cc2C)C1.
What is the InChIKey of [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine?
The InChIKey is PXXCHEGPALLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-8-13(9-16)5-6-15(12)17-7-3-4-14(10-17)11-18-2/h5-6,8,14H,3-4,7,9-11,16H2,1-2H3.
What are the key properties of [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine?
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine is sourced from PubChem (CID 106587897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).