3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C16H26N2O — CID 43672047

IUPAC3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCOCc1cccc(NC(C)C2CCCN(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-13(15-7-5-9-18(2)11-15)17-16-8-4-6-14(10-16)12-19-3/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3
InChIKeyWQZFCISNCWIUMJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds5

About 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 43672047) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID43672047
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCOCc1cccc(NC(C)C2CCCN(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-13(15-7-5-9-18(2)11-15)17-16-8-4-6-14(10-16)12-19-3/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3
InChIKeyWQZFCISNCWIUMJ-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline 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

3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43734119
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
CID 43714988
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
CID 43739906
N-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308668
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 43672047) is 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is COCc1cccc(NC(C)C2CCCN(C)C2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is WQZFCISNCWIUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(15-7-5-9-18(2)11-15)17-16-8-4-6-14(10-16)12-19-3/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43672047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).