1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine

C17H24ClFN2 — CID 103050837

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H24ClFN2/c1-2-3-15-9-20-17(12-4-5-12)11-21(15)10-13-8-14(18)6-7-16(13)19/h6-8,12,15,17,20H,2-5,9-11H2,1H3
InChIKeyKZYXPVPGOOUBKA-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.83
Rot. Bonds5

About 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine

1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine (PubChem CID 103050837) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
PubChem CID103050837
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H24ClFN2/c1-2-3-15-9-20-17(12-4-5-12)11-21(15)10-13-8-14(18)6-7-16(13)19/h6-8,12,15,17,20H,2-5,9-11H2,1H3
InChIKeyKZYXPVPGOOUBKA-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine (CID 103050837) is 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine is CCCC1CNC(C2CC2)CN1Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine?
The InChIKey is KZYXPVPGOOUBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-2-3-15-9-20-17(12-4-5-12)11-21(15)10-13-8-14(18)6-7-16(13)19/h6-8,12,15,17,20H,2-5,9-11H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine?
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine has a molecular weight of 310.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine is sourced from PubChem (CID 103050837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).