1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine

C17H26ClFN2 — CID 102620737

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
SMILESCCC1(CC)CN(Cc2cc(F)ccc2Cl)C(C)(C)CN1
InChIInChI=1S/C17H26ClFN2/c1-5-17(6-2)12-21(16(3,4)11-20-17)10-13-9-14(19)7-8-15(13)18/h7-9,20H,5-6,10-12H2,1-4H3
InChIKeyAQPSCHWNEGITBX-UHFFFAOYSA-N
MW312.86 g/mol
LogP4.22
Rot. Bonds4

About 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine

1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine (PubChem CID 102620737) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
PubChem CID102620737
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
SMILESCCC1(CC)CN(Cc2cc(F)ccc2Cl)C(C)(C)CN1
InChIInChI=1S/C17H26ClFN2/c1-5-17(6-2)12-21(16(3,4)11-20-17)10-13-9-14(19)7-8-15(13)18/h7-9,20H,5-6,10-12H2,1-4H3
InChIKeyAQPSCHWNEGITBX-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861609
5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
CID 64861798
1-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 102620634
1-[(3-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 64862571
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
CID 64861033
1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 103041811
5,5-diethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261770
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 102620935
5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 114349605

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine (CID 102620737) is 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine is CCC1(CC)CN(Cc2cc(F)ccc2Cl)C(C)(C)CN1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine?
The InChIKey is AQPSCHWNEGITBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2/c1-5-17(6-2)12-21(16(3,4)11-20-17)10-13-9-14(19)7-8-15(13)18/h7-9,20H,5-6,10-12H2,1-4H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine?
1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine has a molecular weight of 312.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine is sourced from PubChem (CID 102620737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).