2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol

C18H27F3N2O — CID 111750561

IUPAC2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H27F3N2O/c1-2-17(14-24)23-12-10-22(11-13-23)9-3-4-15-5-7-16(8-6-15)18(19,20)21/h5-8,17,24H,2-4,9-14H2,1H3
InChIKeySKXMPWIATSOCKP-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.03
Rot. Bonds7

About 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol

2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol (PubChem CID 111750561) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol
PubChem CID111750561
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H27F3N2O/c1-2-17(14-24)23-12-10-22(11-13-23)9-3-4-15-5-7-16(8-6-15)18(19,20)21/h5-8,17,24H,2-4,9-14H2,1H3
InChIKeySKXMPWIATSOCKP-UHFFFAOYSA-N
XLogP3.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol 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

2-[1-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-4-yl]hexanoic acid
CID 142749390
N,N-dimethyl-3-[4-[4-(4-propan-2-ylpiperazin-1-yl)butyl]phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 24948315
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295771
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295841
1-ethyl-2-[4-(4-methylpiperazin-1-yl)butyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295468
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol
CID 142936430
(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
CID 22689518
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol (CID 111750561) is 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol?
The InChIKey is SKXMPWIATSOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O/c1-2-17(14-24)23-12-10-22(11-13-23)9-3-4-15-5-7-16(8-6-15)18(19,20)21/h5-8,17,24H,2-4,9-14H2,1H3.
What are the key properties of 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol?
2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol has a molecular weight of 344.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111750561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).