1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine

C16H27N3 — CID 63794140

IUPAC1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCN(C)C(C)C1
InChIInChI=1S/C16H27N3/c1-4-15(17)11-14-7-5-6-8-16(14)19-10-9-18(3)13(2)12-19/h5-8,13,15H,4,9-12,17H2,1-3H3
InChIKeyZASMOKNYLBRBSC-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine

1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine (PubChem CID 63794140) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine
PubChem CID63794140
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCN(C)C(C)C1
InChIInChI=1S/C16H27N3/c1-4-15(17)11-14-7-5-6-8-16(14)19-10-9-18(3)13(2)12-19/h5-8,13,15H,4,9-12,17H2,1-3H3
InChIKeyZASMOKNYLBRBSC-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66371244
1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794003
1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793471
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
CID 63980496
1-[2-(4,4-dimethylazepan-1-yl)phenyl]butan-2-amine
CID 65286445
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63610426
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine
CID 64579290
1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine (CID 63794140) is 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1ccccc1N1CCN(C)C(C)C1.
What is the InChIKey of 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine?
The InChIKey is ZASMOKNYLBRBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-15(17)11-14-7-5-6-8-16(14)19-10-9-18(3)13(2)12-19/h5-8,13,15H,4,9-12,17H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine?
1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63794140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).