1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine

C17H24ClFN2 — CID 115984472

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1cccc(F)c1Cl
InChIInChI=1S/C17H24ClFN2/c1-3-17(2)11-20-15(12-7-8-12)10-21(17)9-13-5-4-6-14(19)16(13)18/h4-6,12,15,20H,3,7-11H2,1-2H3
InChIKeyUFPJMQZHJJOPHX-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.83
Rot. Bonds4

About 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine

1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine (PubChem CID 115984472) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine
PubChem CID115984472
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1cccc(F)c1Cl
InChIInChI=1S/C17H24ClFN2/c1-3-17(2)11-20-15(12-7-8-12)10-21(17)9-13-5-4-6-14(19)16(13)18/h4-6,12,15,20H,3,7-11H2,1-2H3
InChIKeyUFPJMQZHJJOPHX-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine
CID 64861878
5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64862069
1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 102862743
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491173
1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64845519
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861102
1-[(4-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 107888690
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843141

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine (CID 115984472) is 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine is CCC1(C)CNC(C2CC2)CN1Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine?
The InChIKey is UFPJMQZHJJOPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-3-17(2)11-20-15(12-7-8-12)10-21(17)9-13-5-4-6-14(19)16(13)18/h4-6,12,15,20H,3,7-11H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine?
1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine has a molecular weight of 310.84 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 115984472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).