1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

C17H29N3 — CID 63610350

IUPAC1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCCc1ccc(C(N)CN2CCN(C)C(C)(C)C2)cc1
InChIInChI=1S/C17H29N3/c1-5-14-6-8-15(9-7-14)16(18)12-20-11-10-19(4)17(2,3)13-20/h6-9,16H,5,10-13,18H2,1-4H3
InChIKeyGGCWHQGWYLQAQR-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.27
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (PubChem CID 63610350) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
PubChem CID63610350
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCCc1ccc(C(N)CN2CCN(C)C(C)(C)C2)cc1
InChIInChI=1S/C17H29N3/c1-5-14-6-8-15(9-7-14)16(18)12-20-11-10-19(4)17(2,3)13-20/h6-9,16H,5,10-13,18H2,1-4H3
InChIKeyGGCWHQGWYLQAQR-UHFFFAOYSA-N
XLogP2.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-diethylpiperidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 63467884
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113279454
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 79187944
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707
4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63621588
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
1-[2-amino-2-(4-ethylphenyl)ethyl]piperidin-2-one
CID 43212282
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one
CID 18070971

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (CID 63610350) is 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is CCc1ccc(C(N)CN2CCN(C)C(C)(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is GGCWHQGWYLQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-14-6-8-15(9-7-14)16(18)12-20-11-10-19(4)17(2,3)13-20/h6-9,16H,5,10-13,18H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63610350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).