1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine

C16H25FN2 — CID 80697269

IUPAC1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C16H25FN2/c1-13(2)15-11-19(10-9-17)16(3,12-18-15)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3
InChIKeyPRHYPMPFYFWEMZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine

1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine (PubChem CID 80697269) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine
PubChem CID80697269
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C16H25FN2/c1-13(2)15-11-19(10-9-17)16(3,12-18-15)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3
InChIKeyPRHYPMPFYFWEMZ-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
CID 80696880
1,2-dimethyl-2-phenyl-5-propan-2-ylpiperazine
CID 64838310
1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
CID 81113703
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
CID 64847619
2,5-dimethyl-1-(2-methylpropyl)-2-phenylpiperazine
CID 64843969
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine
CID 80697580
2,5-dimethyl-1-pentyl-2-phenylpiperazine
CID 64845156
1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine
CID 64845546
2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518790
2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64845157
1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
CID 64846932

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine (CID 80697269) is 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine is CC(C)C1CN(CCF)C(C)(c2ccccc2)CN1.
What is the InChIKey of 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine?
The InChIKey is PRHYPMPFYFWEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(2)15-11-19(10-9-17)16(3,12-18-15)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine?
1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 80697269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).