2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine

C18H32N4O — CID 145314383

IUPAC2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)CCCCN2CCN(C)CC2)cc1OC
InChIInChI=1S/C18H32N4O/c1-19-17-8-7-16(15-18(17)23-4)21(3)9-5-6-10-22-13-11-20(2)12-14-22/h7-8,15,19H,5-6,9-14H2,1-4H3
InChIKeyUNVWAVQCWIUWRP-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.20
Rot. Bonds8

About 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine

2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine (PubChem CID 145314383) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine
PubChem CID145314383
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)CCCCN2CCN(C)CC2)cc1OC
InChIInChI=1S/C18H32N4O/c1-19-17-8-7-16(15-18(17)23-4)21(3)9-5-6-10-22-13-11-20(2)12-14-22/h7-8,15,19H,5-6,9-14H2,1-4H3
InChIKeyUNVWAVQCWIUWRP-UHFFFAOYSA-N
XLogP2.20
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-dimethyl-4-N-[3-[3-[4-[3-[3-[N-methyl-4-(methylamino)-3-nitroanilino]propyl]imidazolidin-1-yl]butyl]imidazolidin-1-yl]propyl]-2-nitrobenzene-1,4-diamine
CID 59915692
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889710
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 163534558
5-chloro-N-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]pyrimidin-2-amine
CID 141139746
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
CID 110452723
N'-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201775
3-fluoro-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)aniline
CID 115230323

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine (CID 145314383) is 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine is CNc1ccc(N(C)CCCCN2CCN(C)CC2)cc1OC.
What is the InChIKey of 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine?
The InChIKey is UNVWAVQCWIUWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-19-17-8-7-16(15-18(17)23-4)21(3)9-5-6-10-22-13-11-20(2)12-14-22/h7-8,15,19H,5-6,9-14H2,1-4H3.
What are the key properties of 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine?
2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine has a molecular weight of 320.48 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-N,4-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)butyl]benzene-1,4-diamine is sourced from PubChem (CID 145314383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).