N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline

C19H33N3O — CID 170863148

IUPACN,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILESCCN(CC)c1ccc(CCCN2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C19H33N3O/c1-5-22(6-2)18-10-9-17(19(16-18)23-4)8-7-11-21-14-12-20(3)13-15-21/h9-10,16H,5-8,11-15H2,1-4H3
InChIKeyFKHJZBBSKGFSIE-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.72
Rot. Bonds8

About N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline

N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline (PubChem CID 170863148) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
PubChem CID170863148
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILESCCN(CC)c1ccc(CCCN2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C19H33N3O/c1-5-22(6-2)18-10-9-17(19(16-18)23-4)8-7-11-21-14-12-20(3)13-15-21/h9-10,16H,5-8,11-15H2,1-4H3
InChIKeyFKHJZBBSKGFSIE-UHFFFAOYSA-N
XLogP2.72
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629
N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
CID 170869897
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
CID 170863940
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
CID 170870635
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The IUPAC name of N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline (CID 170863148) is N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline.
What is the SMILES notation for N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The canonical SMILES for N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline is CCN(CC)c1ccc(CCCN2CCN(C)CC2)c(OC)c1.
What is the InChIKey of N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The InChIKey is FKHJZBBSKGFSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-5-22(6-2)18-10-9-17(19(16-18)23-4)8-7-11-21-14-12-20(3)13-15-21/h9-10,16H,5-8,11-15H2,1-4H3.
What are the key properties of N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline has a molecular weight of 319.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline is sourced from PubChem (CID 170863148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).