2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol

C14H17F3N2O — CID 171301248

IUPAC2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol
SMILESOc1cc(F)c(F)c(F)c1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H17F3N2O/c15-9-7-10(20)11(13(17)12(9)16)14(8-1-2-8)19-5-3-18-4-6-19/h7-8,14,18,20H,1-6H2/t14-/m1/s1
InChIKeyASWHRPYRXCPPII-CQSZACIVSA-N
MW286.30 g/mol
LogP2.17
Rot. Bonds3

About 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol

2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol (PubChem CID 171301248) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol.

Molecular Properties

Compound Name2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol
PubChem CID171301248
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol
SMILESOc1cc(F)c(F)c(F)c1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H17F3N2O/c15-9-7-10(20)11(13(17)12(9)16)14(8-1-2-8)19-5-3-18-4-6-19/h7-8,14,18,20H,1-6H2/t14-/m1/s1
InChIKeyASWHRPYRXCPPII-CQSZACIVSA-N
XLogP2.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol 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-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol;dihydrochloride
CID 171301249
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,4,5-trifluorophenol;dihydrochloride
CID 171298785
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-3,5-difluorophenol
CID 171300130
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol
CID 171300132
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670
3,5-dichloro-2-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenol
CID 171296427
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,3,5-triol
CID 171284672
1-[(R)-cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methyl]piperazine
CID 171172190
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,4,5-trifluorophenol;dihydrochloride
CID 171298789
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol
CID 171298409
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-6-fluoro-3-methylphenol;dihydrochloride
CID 171298010
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol?
The IUPAC name of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol (CID 171301248) is 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol.
What is the SMILES notation for 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol?
The canonical SMILES for 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol is Oc1cc(F)c(F)c(F)c1[C@@H](C1CC1)N1CCNCC1.
What is the InChIKey of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol?
The InChIKey is ASWHRPYRXCPPII-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-9-7-10(20)11(13(17)12(9)16)14(8-1-2-8)19-5-3-18-4-6-19/h7-8,14,18,20H,1-6H2/t14-/m1/s1.
What are the key properties of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol?
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol has a molecular weight of 286.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol is sourced from PubChem (CID 171301248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).