2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline

C17H28N2O2 — CID 82070771

IUPAC2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
SMILESCOc1cc(CCCN2CCC(C)CC2)cc(N)c1OC
InChIInChI=1S/C17H28N2O2/c1-13-6-9-19(10-7-13)8-4-5-14-11-15(18)17(21-3)16(12-14)20-2/h11-13H,4-10,18H2,1-3H3
InChIKeyOWRBEFITNIHFID-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.95
Rot. Bonds6

About 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline

2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline (PubChem CID 82070771) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
PubChem CID82070771
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
SMILESCOc1cc(CCCN2CCC(C)CC2)cc(N)c1OC
InChIInChI=1S/C17H28N2O2/c1-13-6-9-19(10-7-13)8-4-5-14-11-15(18)17(21-3)16(12-14)20-2/h11-13H,4-10,18H2,1-3H3
InChIKeyOWRBEFITNIHFID-UHFFFAOYSA-N
XLogP2.95
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]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

Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-methoxyphenyl)-
CID 121091
1-[2-(3,4-Dimethoxyphenyl)-1-methylethyl]-4-(2-methoxyphenyl)piperazine
CID 3793755
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(2,5-dimethoxyphenyl)-, hydrochloride
CID 120554
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(m-methoxyphenyl)-
CID 120976
5-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3-dimethoxyaniline
CID 11558484
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-N-methylaniline
CID 10990273
5-{[1-(3,4-Difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl}-2,3-dimethoxyphenylamine
CID 18347029
5-{[1-(3,4-Difluorophenyl)ethylamino]-(4-fluorophenyl)methyl}-2,3-dimethoxyphenylamine
CID 18347071
5-{[1-(3,5-Difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl}-2,3-dimethoxyphenylamine
CID 18347112
2,3-Dimethoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 58007627
N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]-2-(trifluoromethoxy)aniline
CID 67458271
2,3-Dimethoxy-5-{(4-fluorophenyl)-[(S)-1-phenylethylamino]methyl}phenylamine
CID 70189156

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline?
The IUPAC name of 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline (CID 82070771) is 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline.
What is the SMILES notation for 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline?
The canonical SMILES for 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline is COc1cc(CCCN2CCC(C)CC2)cc(N)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline?
The InChIKey is OWRBEFITNIHFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-6-9-19(10-7-13)8-4-5-14-11-15(18)17(21-3)16(12-14)20-2/h11-13H,4-10,18H2,1-3H3.
What are the key properties of 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline?
2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline has a molecular weight of 292.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 82070771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).