1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine

C18H29FN4 — CID 83978178

IUPAC1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
SMILESCC1CN(C(CN2CCN(C)CC2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C18H29FN4/c1-15-13-23(8-7-20-15)18(16-3-5-17(19)6-4-16)14-22-11-9-21(2)10-12-22/h3-6,15,18,20H,7-14H2,1-2H3
InChIKeyRVUXRODWXOUGCI-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.41
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine

1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine (PubChem CID 83978178) has the molecular formula C18H29FN4 and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
PubChem CID83978178
Molecular FormulaC18H29FN4
Molecular Weight320.46 g/mol
Exact Mass320.24
IUPAC Name1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
SMILESCC1CN(C(CN2CCN(C)CC2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C18H29FN4/c1-15-13-23(8-7-20-15)18(16-3-5-17(19)6-4-16)14-22-11-9-21(2)10-12-22/h3-6,15,18,20H,7-14H2,1-2H3
InChIKeyRVUXRODWXOUGCI-UHFFFAOYSA-N
XLogP1.41
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978531
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 83977807
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine (CID 83978178) is 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine is CC1CN(C(CN2CCN(C)CC2)c2ccc(F)cc2)CCN1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
The InChIKey is RVUXRODWXOUGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4/c1-15-13-23(8-7-20-15)18(16-3-5-17(19)6-4-16)14-22-11-9-21(2)10-12-22/h3-6,15,18,20H,7-14H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine?
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine has a molecular weight of 320.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 83978178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).