4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol

C21H25F3N2O — CID 30983391

IUPAC4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol
SMILESC[C@H](CCc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H25F3N2O/c1-16(5-6-17-7-9-20(27)10-8-17)25-11-13-26(14-12-25)19-4-2-3-18(15-19)21(22,23)24/h2-4,7-10,15-16,27H,5-6,11-14H2,1H3/t16-/m1/s1
InChIKeyQJGIXBOFVQTVOA-MRXNPFEDSA-N
MW378.44 g/mol
LogP4.55
Rot. Bonds5

About 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol

4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol (PubChem CID 30983391) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol.

Molecular Properties

Compound Name4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol
PubChem CID30983391
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol
SMILESC[C@H](CCc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H25F3N2O/c1-16(5-6-17-7-9-20(27)10-8-17)25-11-13-26(14-12-25)19-4-2-3-18(15-19)21(22,23)24/h2-4,7-10,15-16,27H,5-6,11-14H2,1H3/t16-/m1/s1
InChIKeyQJGIXBOFVQTVOA-MRXNPFEDSA-N
XLogP4.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 782196
ethyl 1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 42462685
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol?
The IUPAC name of 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol (CID 30983391) is 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol.
What is the SMILES notation for 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol?
The canonical SMILES for 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol is C[C@H](CCc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol?
The InChIKey is QJGIXBOFVQTVOA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-16(5-6-17-7-9-20(27)10-8-17)25-11-13-26(14-12-25)19-4-2-3-18(15-19)21(22,23)24/h2-4,7-10,15-16,27H,5-6,11-14H2,1H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol?
4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol has a molecular weight of 378.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol is sourced from PubChem (CID 30983391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).