1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine

C14H21FN2 — CID 64925974

IUPAC1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(CCc2ccc(F)cc2)CCN1
InChIInChI=1S/C14H21FN2/c1-14(2)11-17(10-8-16-14)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeySIWUOLZTYUMPHI-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine

1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine (PubChem CID 64925974) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
PubChem CID64925974
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(CCc2ccc(F)cc2)CCN1
InChIInChI=1S/C14H21FN2/c1-14(2)11-17(10-8-16-14)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeySIWUOLZTYUMPHI-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 174568705
3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
CID 64926173
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987
1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
CID 115970389
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 68527749
1-[(2-bromo-4-fluorophenyl)methyl]-3,3-dimethylpiperazine
CID 64832050
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
CID 64943019
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
2-[2-(3,3-dimethylpiperazin-1-yl)ethyl]isoindole-1,3-dione
CID 130892707

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine (CID 64925974) is 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine is CC1(C)CN(CCc2ccc(F)cc2)CCN1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine?
The InChIKey is SIWUOLZTYUMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2)11-17(10-8-16-14)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine?
1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 64925974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).