1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C15H22ClFN2 — CID 64935490

IUPAC1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1c1cccc(Cl)c1F
InChIInChI=1S/C15H22ClFN2/c1-10(2)13-8-18-15(3,4)9-19(13)12-7-5-6-11(16)14(12)17/h5-7,10,13,18H,8-9H2,1-4H3
InChIKeyGIAOZHMBQHZFGO-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64935490) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64935490
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1c1cccc(Cl)c1F
InChIInChI=1S/C15H22ClFN2/c1-10(2)13-8-18-15(3,4)9-19(13)12-7-5-6-11(16)14(12)17/h5-7,10,13,18H,8-9H2,1-4H3
InChIKeyGIAOZHMBQHZFGO-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64934504
1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935824
1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64934684
1-(2-bromo-3-chlorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 103481721
1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64930665
1-(2,4-dibromophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946247
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107310470
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107623424
5,5-dimethyl-1-naphthalen-2-yl-2-propan-2-ylpiperazine
CID 64945583
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912
1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64941938

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64935490) is 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is GIAOZHMBQHZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10(2)13-8-18-15(3,4)9-19(13)12-7-5-6-11(16)14(12)17/h5-7,10,13,18H,8-9H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(3-chloro-2-fluorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 284.81 g/mol, XLogP of 3.69, 2 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)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64935490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).