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

C12H22F2N2 — CID 170657576

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CC2(F)F)C(C)C1
InChIInChI=1S/C12H22F2N2/c1-9(2)15-4-5-16(10(3)7-15)8-11-6-12(11,13)14/h9-11H,4-8H2,1-3H3
InChIKeyQCLHBWHLFJEIFL-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds3

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

1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine (PubChem CID 170657576) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine
PubChem CID170657576
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CC2(F)F)C(C)C1
InChIInChI=1S/C12H22F2N2/c1-9(2)15-4-5-16(10(3)7-15)8-11-6-12(11,13)14/h9-11H,4-8H2,1-3H3
InChIKeyQCLHBWHLFJEIFL-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine (CID 170657576) is 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2CC2(F)F)C(C)C1.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine?
The InChIKey is QCLHBWHLFJEIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-9(2)15-4-5-16(10(3)7-15)8-11-6-12(11,13)14/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine?
1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine has a molecular weight of 232.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 170657576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).