1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine

C14H18F4N2 — CID 170862462

IUPAC1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
SMILESCN1CCN(CCCc2cc(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H18F4N2/c1-19-5-7-20(8-6-19)4-2-3-10-9-11(15)13(17)14(18)12(10)16/h9H,2-8H2,1H3
InChIKeyKKTWFXZBHNPZKJ-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.42
Rot. Bonds4

About 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine

1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine (PubChem CID 170862462) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
PubChem CID170862462
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
SMILESCN1CCN(CCCc2cc(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H18F4N2/c1-19-5-7-20(8-6-19)4-2-3-10-9-11(15)13(17)14(18)12(10)16/h9H,2-8H2,1H3
InChIKeyKKTWFXZBHNPZKJ-UHFFFAOYSA-N
XLogP2.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862998
1-[3-(3-fluoro-5-iodophenyl)propyl]-4-methylpiperazine
CID 170863311
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
2-[3-(4-methylpiperazin-1-yl)propyl]-4-(trifluoromethoxy)aniline
CID 170863398
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
2,3,5-trifluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889889
1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
CID 166651415

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine (CID 170862462) is 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine is CN1CCN(CCCc2cc(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine?
The InChIKey is KKTWFXZBHNPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-19-5-7-20(8-6-19)4-2-3-10-9-11(15)13(17)14(18)12(10)16/h9H,2-8H2,1H3.
What are the key properties of 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine?
1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine has a molecular weight of 290.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine is sourced from PubChem (CID 170862462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).