1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine

C16H25FN2 — CID 71102032

IUPAC1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(C(F)C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-16(2,3)15(17)13-5-7-14(8-6-13)19-11-9-18(4)10-12-19/h5-8,15H,9-12H2,1-4H3
InChIKeyDAGNMHIZMHJRTJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.50
Rot. Bonds2

About 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine

1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine (PubChem CID 71102032) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine
PubChem CID71102032
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(C(F)C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-16(2,3)15(17)13-5-7-14(8-6-13)19-11-9-18(4)10-12-19/h5-8,15H,9-12H2,1-4H3
InChIKeyDAGNMHIZMHJRTJ-UHFFFAOYSA-N
XLogP3.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
2-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]acetaldehyde
CID 87854614
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
3-amino-1-[4-(4-methylpiperazin-1-yl)phenyl]propane-1,2-diol
CID 170828993
1-methyl-4-(4-octan-4-ylphenyl)piperazine
CID 146185845
3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 170876139
[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol
CID 135299363
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
1-[4-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorophenyl]-4-methylpiperazine;1-[4-(3,3-dimethylbutan-2-yl)-3-fluorophenyl]-4-methylpiperazine;1-[4-[(2S)-3,3-dimethylbutan-2-yl]phenyl]-4-methylpiperazine;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-methylpiperazine;1-[4-(3,3-dimethylbutan-2-yl)phenyl]piperidine
CID 160546934

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine (CID 71102032) is 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine is CN1CCN(c2ccc(C(F)C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine?
The InChIKey is DAGNMHIZMHJRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,3)15(17)13-5-7-14(8-6-13)19-11-9-18(4)10-12-19/h5-8,15H,9-12H2,1-4H3.
What are the key properties of 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine?
1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoro-2,2-dimethylpropyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 71102032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).