5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine

C17H26ClFN2 — CID 102620685

IUPAC5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
SMILESCCC(C)C1CN(Cc2cc(F)ccc2Cl)C(CC)CN1
InChIInChI=1S/C17H26ClFN2/c1-4-12(3)17-11-21(15(5-2)9-20-17)10-13-8-14(19)6-7-16(13)18/h6-8,12,15,17,20H,4-5,9-11H2,1-3H3
InChIKeyXWIZCEPRBISCKV-UHFFFAOYSA-N
MW312.86 g/mol
LogP4.08
Rot. Bonds5

About 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine

5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine (PubChem CID 102620685) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
PubChem CID102620685
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
SMILESCCC(C)C1CN(Cc2cc(F)ccc2Cl)C(CC)CN1
InChIInChI=1S/C17H26ClFN2/c1-4-12(3)17-11-21(15(5-2)9-20-17)10-13-8-14(19)6-7-16(13)18/h6-8,12,15,17,20H,4-5,9-11H2,1-3H3
InChIKeyXWIZCEPRBISCKV-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 102620786
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651
5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
CID 64848611
5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 64936261
5-butan-2-yl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65490972
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
CID 103293533
2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839619

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine (CID 102620685) is 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine is CCC(C)C1CN(Cc2cc(F)ccc2Cl)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine?
The InChIKey is XWIZCEPRBISCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2/c1-4-12(3)17-11-21(15(5-2)9-20-17)10-13-8-14(19)6-7-16(13)18/h6-8,12,15,17,20H,4-5,9-11H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine?
5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine has a molecular weight of 312.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine is sourced from PubChem (CID 102620685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).