2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine

C19H33N3 — CID 83978630

IUPAC2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN(C)C)c2ccc(C(C)(C)C)cc2)CCN1
InChIInChI=1S/C19H33N3/c1-15-13-22(12-11-20-15)18(14-21(5)6)16-7-9-17(10-8-16)19(2,3)4/h7-10,15,18,20H,11-14H2,1-6H3
InChIKeyJLTOYRWFKBQYNK-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine

2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine (PubChem CID 83978630) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
PubChem CID83978630
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN(C)C)c2ccc(C(C)(C)C)cc2)CCN1
InChIInChI=1S/C19H33N3/c1-15-13-22(12-11-20-15)18(14-21(5)6)16-7-9-17(10-8-16)19(2,3)4/h7-10,15,18,20H,11-14H2,1-6H3
InChIKeyJLTOYRWFKBQYNK-UHFFFAOYSA-N
XLogP2.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine (CID 83978630) is 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine is CC1CN(C(CN(C)C)c2ccc(C(C)(C)C)cc2)CCN1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The InChIKey is JLTOYRWFKBQYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-15-13-22(12-11-20-15)18(14-21(5)6)16-7-9-17(10-8-16)19(2,3)4/h7-10,15,18,20H,11-14H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine has a molecular weight of 303.49 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83978630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).