(2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol

C15H19F3N2O — CID 1477611

IUPAC(2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol
SMILESO[C@H](C=CN1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)14(21)6-7-19-8-10-20(11-9-19)12-13-4-2-1-3-5-13/h1-7,14,21H,8-12H2/t14-/m1/s1
InChIKeyBPIIBLHCDJCUMX-CQSZACIVSA-N
MW300.32 g/mol
LogP2.24
Rot. Bonds4

About (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol

(2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol (PubChem CID 1477611) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol
PubChem CID1477611
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol
SMILESO[C@H](C=CN1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)14(21)6-7-19-8-10-20(11-9-19)12-13-4-2-1-3-5-13/h1-7,14,21H,8-12H2/t14-/m1/s1
InChIKeyBPIIBLHCDJCUMX-CQSZACIVSA-N
XLogP2.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one
CID 11292106
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate
CID 118098574
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-(trifluoromethoxy)piperazine
CID 134348799
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
(Z)-3-[7-benzyl-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]prop-2-enoic acid
CID 163439340
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol?
The IUPAC name of (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol (CID 1477611) is (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol.
What is the SMILES notation for (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol?
The canonical SMILES for (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol is O[C@H](C=CN1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol?
The InChIKey is BPIIBLHCDJCUMX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)14(21)6-7-19-8-10-20(11-9-19)12-13-4-2-1-3-5-13/h1-7,14,21H,8-12H2/t14-/m1/s1.
What are the key properties of (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol?
(2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol has a molecular weight of 300.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-benzylpiperazin-1-yl)-1,1,1-trifluorobut-3-en-2-ol is sourced from PubChem (CID 1477611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).