N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine

C17H29N3 — CID 105348449

IUPACN-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine
SMILESCNCCc1ccc(CN2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C17H29N3/c1-14-11-20(12-15(2)19(14)4)13-17-7-5-16(6-8-17)9-10-18-3/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyMOBMCJCNCWDKQP-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine

N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine (PubChem CID 105348449) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine
PubChem CID105348449
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine
SMILESCNCCc1ccc(CN2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C17H29N3/c1-14-11-20(12-15(2)19(14)4)13-17-7-5-16(6-8-17)9-10-18-3/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyMOBMCJCNCWDKQP-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-N-methylethanamine
CID 105347697
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
2-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]aniline
CID 114547032
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347945
N-methyl-2-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 105347634
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347946
N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348367
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064
2-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217636

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine (CID 105348449) is N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine is CNCCc1ccc(CN2CC(C)N(C)C(C)C2)cc1.
What is the InChIKey of N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is MOBMCJCNCWDKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14-11-20(12-15(2)19(14)4)13-17-7-5-16(6-8-17)9-10-18-3/h5-8,14-15,18H,9-13H2,1-4H3.
What are the key properties of N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine?
N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 105348449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).