1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine

C17H26F2N2 — CID 64832129

IUPAC1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1Cc1cccc(F)c1F
InChIInChI=1S/C17H26F2N2/c1-4-6-14-9-20-16(12(2)3)11-21(14)10-13-7-5-8-15(18)17(13)19/h5,7-8,12,14,16,20H,4,6,9-11H2,1-3H3
InChIKeyPJCMFNBXRUELOR-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.56
Rot. Bonds5

About 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine

1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine (PubChem CID 64832129) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
PubChem CID64832129
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1Cc1cccc(F)c1F
InChIInChI=1S/C17H26F2N2/c1-4-6-14-9-20-16(12(2)3)11-21(14)10-13-7-5-8-15(18)17(13)19/h5,7-8,12,14,16,20H,4,6,9-11H2,1-3H3
InChIKeyPJCMFNBXRUELOR-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine (CID 64832129) is 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine is CCCC1CNC(C(C)C)CN1Cc1cccc(F)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
The InChIKey is PJCMFNBXRUELOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-4-6-14-9-20-16(12(2)3)11-21(14)10-13-7-5-8-15(18)17(13)19/h5,7-8,12,14,16,20H,4,6,9-11H2,1-3H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine?
1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine has a molecular weight of 296.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine is sourced from PubChem (CID 64832129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).