1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine

C15H23FN2 — CID 117379867

IUPAC1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
SMILESCC(C)(F)c1ccccc1CCN1CCNCC1
InChIInChI=1S/C15H23FN2/c1-15(2,16)14-6-4-3-5-13(14)7-10-18-11-8-17-9-12-18/h3-6,17H,7-12H2,1-2H3
InChIKeyRPUVUYNSWHPVDX-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine

1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine (PubChem CID 117379867) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
PubChem CID117379867
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
SMILESCC(C)(F)c1ccccc1CCN1CCNCC1
InChIInChI=1S/C15H23FN2/c1-15(2,16)14-6-4-3-5-13(14)7-10-18-11-8-17-9-12-18/h3-6,17H,7-12H2,1-2H3
InChIKeyRPUVUYNSWHPVDX-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117465754
1-[2-[3-chloro-2-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117466506
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
tert-butyl N-[2-(2-piperazin-1-ylethyl)phenyl]carbamate
CID 117111782
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812
1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
CID 117475097
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286
N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120999796
3-(2-piperazin-1-ylethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 117468863
1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 66985068

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine (CID 117379867) is 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine is CC(C)(F)c1ccccc1CCN1CCNCC1.
What is the InChIKey of 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine?
The InChIKey is RPUVUYNSWHPVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2,16)14-6-4-3-5-13(14)7-10-18-11-8-17-9-12-18/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine?
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine has a molecular weight of 250.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117379867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).