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

C15H22ClFN2 — CID 102862525

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2cccc(Cl)c2F)C(C)(C)CN1
InChIInChI=1S/C15H22ClFN2/c1-4-12-9-19(15(2,3)10-18-12)8-11-6-5-7-13(16)14(11)17/h5-7,12,18H,4,8-10H2,1-3H3
InChIKeyJWMGLCNUJVDKDN-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds3

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

1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine (PubChem CID 102862525) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
PubChem CID102862525
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2cccc(Cl)c2F)C(C)(C)CN1
InChIInChI=1S/C15H22ClFN2/c1-4-12-9-19(15(2,3)10-18-12)8-11-6-5-7-13(16)14(11)17/h5-7,12,18H,4,8-10H2,1-3H3
InChIKeyJWMGLCNUJVDKDN-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 102862743
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64838030
1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine
CID 102862439
1-[(2-chloro-6-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843935
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79260558
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843141
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
1-(2,2-difluoroethyl)-5-ethyl-2,2-dimethylpiperazine
CID 64842161
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine (CID 102862525) is 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine is CCC1CN(Cc2cccc(Cl)c2F)C(C)(C)CN1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The InChIKey is JWMGLCNUJVDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-4-12-9-19(15(2,3)10-18-12)8-11-6-5-7-13(16)14(11)17/h5-7,12,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine is sourced from PubChem (CID 102862525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).