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

C20H35N3O — CID 170863629

IUPAC3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILESCCOc1cc(N(CC)CC)ccc1CCCN1CCN(C)CC1
InChIInChI=1S/C20H35N3O/c1-5-23(6-2)19-11-10-18(20(17-19)24-7-3)9-8-12-22-15-13-21(4)14-16-22/h10-11,17H,5-9,12-16H2,1-4H3
InChIKeyVEQAGQQVXDTGDG-UHFFFAOYSA-N
MW333.52 g/mol
LogP3.11
Rot. Bonds9

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

3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline (PubChem CID 170863629) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
PubChem CID170863629
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILESCCOc1cc(N(CC)CC)ccc1CCCN1CCN(C)CC1
InChIInChI=1S/C20H35N3O/c1-5-23(6-2)19-11-10-18(20(17-19)24-7-3)9-8-12-22-15-13-21(4)14-16-22/h10-11,17H,5-9,12-16H2,1-4H3
InChIKeyVEQAGQQVXDTGDG-UHFFFAOYSA-N
XLogP3.11
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
CID 170869897
1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
CID 170863849
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
CID 170870635
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
4-[3-(2-ethoxy-4-morpholin-4-ylphenyl)propyl]morpholine
CID 170870634
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805
1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863796

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The IUPAC name of 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline (CID 170863629) is 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline.
What is the SMILES notation for 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The canonical SMILES for 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline is CCOc1cc(N(CC)CC)ccc1CCCN1CCN(C)CC1.
What is the InChIKey of 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The InChIKey is VEQAGQQVXDTGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-5-23(6-2)19-11-10-18(20(17-19)24-7-3)9-8-12-22-15-13-21(4)14-16-22/h10-11,17H,5-9,12-16H2,1-4H3.
What are the key properties of 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline?
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline has a molecular weight of 333.52 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline is sourced from PubChem (CID 170863629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).