1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine

C17H28N2O — CID 120966169

IUPAC1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCOc2c(C)cccc2C)CC1
InChIInChI=1S/C17H28N2O/c1-14-5-4-6-15(2)17(14)20-12-11-19-9-7-16(8-10-19)13-18-3/h4-6,16,18H,7-13H2,1-3H3
InChIKeyZXOUEPRRZAWAIK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.61
Rot. Bonds6

About 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 120966169) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID120966169
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCOc2c(C)cccc2C)CC1
InChIInChI=1S/C17H28N2O/c1-14-5-4-6-15(2)17(14)20-12-11-19-9-7-16(8-10-19)13-18-3/h4-6,16,18H,7-13H2,1-3H3
InChIKeyZXOUEPRRZAWAIK-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine 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-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442606
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
CID 115307413
(3aR,6aS)-5-[2-(2,6-dimethylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120967173
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966166
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine (CID 120966169) is 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(CCOc2c(C)cccc2C)CC1.
What is the InChIKey of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is ZXOUEPRRZAWAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-5-4-6-15(2)17(14)20-12-11-19-9-7-16(8-10-19)13-18-3/h4-6,16,18H,7-13H2,1-3H3.
What are the key properties of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 120966169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).