1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine

C15H22ClFN2 — CID 114860293

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(Cl)cc2F)CCN1
InChIInChI=1S/C15H22ClFN2/c1-3-15(4-2)11-19(8-7-18-15)10-12-5-6-13(16)9-14(12)17/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeySANGNNGNLXBFES-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine

1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine (PubChem CID 114860293) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine
PubChem CID114860293
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(Cl)cc2F)CCN1
InChIInChI=1S/C15H22ClFN2/c1-3-15(4-2)11-19(8-7-18-15)10-12-5-6-13(16)9-14(12)17/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeySANGNNGNLXBFES-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-3-ethylpiperazine
CID 114860278
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386
[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanol
CID 100638368
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
3-butan-2-yl-1-[(4-chloro-2-fluorophenyl)methyl]piperazine
CID 114860303
1-(4-chlorophenyl)-3,3-diethylpiperazine
CID 64925456
3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
CID 64926173
1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine
CID 106870298
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 156606525
3-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841985

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine (CID 114860293) is 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine is CCC1(CC)CN(Cc2ccc(Cl)cc2F)CCN1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine?
The InChIKey is SANGNNGNLXBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-15(4-2)11-19(8-7-18-15)10-12-5-6-13(16)9-14(12)17/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine?
1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-3,3-diethylpiperazine is sourced from PubChem (CID 114860293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).