1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

C17H24ClFN2 — CID 107888494

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)c(F)c2)C(C2CC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-11(2)16-10-21(17(8-20-16)13-4-5-13)9-12-3-6-14(18)15(19)7-12/h3,6-7,11,13,16-17,20H,4-5,8-10H2,1-2H3
InChIKeyUCVGAOOSLPHGCI-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.69
Rot. Bonds4

About 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine

1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (PubChem CID 107888494) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
PubChem CID107888494
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)c(F)c2)C(C2CC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-11(2)16-10-21(17(8-20-16)13-4-5-13)9-12-3-6-14(18)15(19)7-12/h3,6-7,11,13,16-17,20H,4-5,8-10H2,1-2H3
InChIKeyUCVGAOOSLPHGCI-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine (CID 107888494) is 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccc(Cl)c(F)c2)C(C2CC2)CN1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
The InChIKey is UCVGAOOSLPHGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-11(2)16-10-21(17(8-20-16)13-4-5-13)9-12-3-6-14(18)15(19)7-12/h3,6-7,11,13,16-17,20H,4-5,8-10H2,1-2H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine?
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine has a molecular weight of 310.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 107888494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).