2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine

C17H29N3 — CID 105347697

IUPAC2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCCN1CCN(Cc2ccc(CCNC)cc2)CC1C
InChIInChI=1S/C17H29N3/c1-4-20-12-11-19(13-15(20)2)14-17-7-5-16(6-8-17)9-10-18-3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyUOQNXRCJFXTUJR-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.97
Rot. Bonds6

About 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine

2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine (PubChem CID 105347697) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine
PubChem CID105347697
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCCN1CCN(Cc2ccc(CCNC)cc2)CC1C
InChIInChI=1S/C17H29N3/c1-4-20-12-11-19(13-15(20)2)14-17-7-5-16(6-8-17)9-10-18-3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyUOQNXRCJFXTUJR-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 105348449
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
CID 75517917
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 63634062
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
CID 82979964
[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methoxyphenyl]boronic acid
CID 63635021
2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
CID 82980462
N-methyl-2-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 105347634
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646168
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine (CID 105347697) is 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine is CCN1CCN(Cc2ccc(CCNC)cc2)CC1C.
What is the InChIKey of 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine?
The InChIKey is UOQNXRCJFXTUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-20-12-11-19(13-15(20)2)14-17-7-5-16(6-8-17)9-10-18-3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine?
2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine has a molecular weight of 275.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 105347697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).