5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline

C21H34N4O — CID 177085199

IUPAC5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline
SMILESCCc1cc(N)c(OC)cc1N1CCC(N2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C21H34N4O/c1-4-15-11-19(22)21(26-3)12-20(15)24-9-7-16(8-10-24)25-13-17-5-6-18(14-25)23(17)2/h11-12,16-18H,4-10,13-14,22H2,1-3H3
InChIKeyPLGUIAYKISNIQK-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.59
Rot. Bonds4

About 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline

5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline (PubChem CID 177085199) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline
PubChem CID177085199
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline
SMILESCCc1cc(N)c(OC)cc1N1CCC(N2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C21H34N4O/c1-4-15-11-19(22)21(26-3)12-20(15)24-9-7-16(8-10-24)25-13-17-5-6-18(14-25)23(17)2/h11-12,16-18H,4-10,13-14,22H2,1-3H3
InChIKeyPLGUIAYKISNIQK-UHFFFAOYSA-N
XLogP2.59
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]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

4-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 175428489
ethane;5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine;methane
CID 167595027
1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
CID 163617744
tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate
CID 171491758
2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452610
tert-butyl 4-[1-[4-amino-5-(difluoromethoxy)-2-ethylphenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 172541462
5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
CID 59452960
4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline
CID 168834086
5-(1-ethylpyrazol-4-yl)-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-[2-(1-ethylpyrazol-4-yl)-5-methoxy-4-nitrophenyl]piperidin-4-yl]-4-methylpiperazine;methanol
CID 167581665
2-[4-[4-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-1-yl]piperidin-1-yl]ethanol;ethane
CID 164871158
CID 163933278
CID 163933278
tert-butyl N-[7-(4-amino-2-ethyl-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]-N-methylcarbamate
CID 167273532

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline?
The IUPAC name of 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline (CID 177085199) is 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline.
What is the SMILES notation for 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline?
The canonical SMILES for 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline is CCc1cc(N)c(OC)cc1N1CCC(N2CC3CCC(C2)N3C)CC1.
What is the InChIKey of 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline?
The InChIKey is PLGUIAYKISNIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-4-15-11-19(22)21(26-3)12-20(15)24-9-7-16(8-10-24)25-13-17-5-6-18(14-25)23(17)2/h11-12,16-18H,4-10,13-14,22H2,1-3H3.
What are the key properties of 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline?
5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline has a molecular weight of 358.53 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline is sourced from PubChem (CID 177085199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).