1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine

C16H24ClFN2 — CID 103041811

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(F)c(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C16H24ClFN2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-6-7-14(18)13(17)8-12/h6-8,19H,5,9-11H2,1-4H3
InChIKeyDVEGFDZYQMFJPI-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.83
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine

1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine (PubChem CID 103041811) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
PubChem CID103041811
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(F)c(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C16H24ClFN2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-6-7-14(18)13(17)8-12/h6-8,19H,5,9-11H2,1-4H3
InChIKeyDVEGFDZYQMFJPI-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64850036
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 102620699
1-[(4-chloro-3-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 107888674
1-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 81154666
1-[(3,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849861
1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849867
5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64848517
1-[(3-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 64862571
6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 103041794
1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 107310506
5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
CID 64861798
1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878272

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine (CID 103041811) is 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine is CCC1(C)CN(Cc2ccc(F)c(Cl)c2)C(C)(C)CN1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The InChIKey is DVEGFDZYQMFJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-6-7-14(18)13(17)8-12/h6-8,19H,5,9-11H2,1-4H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine has a molecular weight of 298.83 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 103041811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).