2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine

C16H22F2N2 — CID 64860967

IUPAC2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC(F)F)C(C2CC2)CN1
InChIInChI=1S/C16H22F2N2/c1-16(13-5-3-2-4-6-13)11-20(10-15(17)18)14(9-19-16)12-7-8-12/h2-6,12,14-15,19H,7-11H2,1H3
InChIKeyLYUDPWJRTLYVSU-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.85
Rot. Bonds4

About 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine

2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine (PubChem CID 64860967) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine
PubChem CID64860967
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC(F)F)C(C2CC2)CN1
InChIInChI=1S/C16H22F2N2/c1-16(13-5-3-2-4-6-13)11-20(10-15(17)18)14(9-19-16)12-7-8-12/h2-6,12,14-15,19H,7-11H2,1H3
InChIKeyLYUDPWJRTLYVSU-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
The IUPAC name of 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine (CID 64860967) is 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine is CC1(c2ccccc2)CN(CC(F)F)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
The InChIKey is LYUDPWJRTLYVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-16(13-5-3-2-4-6-13)11-20(10-15(17)18)14(9-19-16)12-7-8-12/h2-6,12,14-15,19H,7-11H2,1H3.
What are the key properties of 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine?
2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine has a molecular weight of 280.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,2-difluoroethyl)-5-methyl-5-phenylpiperazine is sourced from PubChem (CID 64860967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).