1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine

C17H28N2O — CID 63980311

IUPAC1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
SMILESCOCC1CCN(c2ccc(CC(C)N)cc2C)CC1
InChIInChI=1S/C17H28N2O/c1-13-10-16(11-14(2)18)4-5-17(13)19-8-6-15(7-9-19)12-20-3/h4-5,10,14-15H,6-9,11-12,18H2,1-3H3
InChIKeyASCQXKXBRREBCZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine

1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine (PubChem CID 63980311) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
PubChem CID63980311
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
SMILESCOCC1CCN(c2ccc(CC(C)N)cc2C)CC1
InChIInChI=1S/C17H28N2O/c1-13-10-16(11-14(2)18)4-5-17(13)19-8-6-15(7-9-19)12-20-3/h4-5,10,14-15H,6-9,11-12,18H2,1-3H3
InChIKeyASCQXKXBRREBCZ-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine
CID 63972516
1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
CID 63980117
1-[4-(bromomethyl)-2-methylphenyl]-3-(methoxymethyl)pyrrolidine
CID 107084059
1-[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793608
1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 63795228
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine
CID 104961314
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methylphenyl]propan-2-amine
CID 107459824
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255
1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
CID 55236412
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine (CID 63980311) is 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine is COCC1CCN(c2ccc(CC(C)N)cc2C)CC1.
What is the InChIKey of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine?
The InChIKey is ASCQXKXBRREBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-16(11-14(2)18)4-5-17(13)19-8-6-15(7-9-19)12-20-3/h4-5,10,14-15H,6-9,11-12,18H2,1-3H3.
What are the key properties of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine?
1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 63980311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).