1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine

C14H20F2N2 — CID 64833925

IUPAC1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-10(2)14-8-17-5-6-18(14)9-11-3-4-12(15)7-13(11)16/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyQFJQNANFQGODTA-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.39
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine

1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64833925) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
PubChem CID64833925
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-10(2)14-8-17-5-6-18(14)9-11-3-4-12(15)7-13(11)16/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyQFJQNANFQGODTA-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine (CID 64833925) is 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine is CC(C)C1CNCCN1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is QFJQNANFQGODTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(2)14-8-17-5-6-18(14)9-11-3-4-12(15)7-13(11)16/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 254.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64833925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).