5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine

C18H27FN2 — CID 105375744

IUPAC5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(F)cc1CN1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C18H27FN2/c1-12(2)18-9-20-17(14-5-6-14)11-21(18)10-15-8-16(19)7-4-13(15)3/h4,7-8,12,14,17-18,20H,5-6,9-11H2,1-3H3
InChIKeyWYRQAWHVORTCDU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.34
Rot. Bonds4

About 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine

5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 105375744) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
PubChem CID105375744
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(F)cc1CN1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C18H27FN2/c1-12(2)18-9-20-17(14-5-6-14)11-21(18)10-15-8-16(19)7-4-13(15)3/h4,7-8,12,14,17-18,20H,5-6,9-11H2,1-3H3
InChIKeyWYRQAWHVORTCDU-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine (CID 105375744) is 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine is Cc1ccc(F)cc1CN1CC(C2CC2)NCC1C(C)C.
What is the InChIKey of 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is WYRQAWHVORTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-12(2)18-9-20-17(14-5-6-14)11-21(18)10-15-8-16(19)7-4-13(15)3/h4,7-8,12,14,17-18,20H,5-6,9-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine?
5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 290.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 105375744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).