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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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).