5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine

C16H21Cl2FN2 — CID 107579965

IUPAC5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C16H21Cl2FN2/c1-9(2)15-7-20-14(10-3-4-10)8-21(15)11-5-12(17)16(19)13(18)6-11/h5-6,9-10,14-15,20H,3-4,7-8H2,1-2H3
InChIKeyMUTQZGYCKOFTFN-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.35
Rot. Bonds3

About 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine

5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine (PubChem CID 107579965) has the molecular formula C16H21Cl2FN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine
PubChem CID107579965
Molecular FormulaC16H21Cl2FN2
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C16H21Cl2FN2/c1-9(2)15-7-20-14(10-3-4-10)8-21(15)11-5-12(17)16(19)13(18)6-11/h5-6,9-10,14-15,20H,3-4,7-8H2,1-2H3
InChIKeyMUTQZGYCKOFTFN-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine (CID 107579965) is 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine?
The InChIKey is MUTQZGYCKOFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2FN2/c1-9(2)15-7-20-14(10-3-4-10)8-21(15)11-5-12(17)16(19)13(18)6-11/h5-6,9-10,14-15,20H,3-4,7-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine?
5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine has a molecular weight of 331.26 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 107579965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).