1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

C21H26F2N2O — CID 56509402

IUPAC1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26F2N2O/c1-21(2,26)15-24-11-13-25(14-12-24)20(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,20,26H,11-15H2,1-2H3
InChIKeyRWXKNIJXFNWYOM-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 56509402) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID56509402
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26F2N2O/c1-21(2,26)15-24-11-13-25(14-12-24)20(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,20,26H,11-15H2,1-2H3
InChIKeyRWXKNIJXFNWYOM-UHFFFAOYSA-N
XLogP3.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 110932473
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 36850979
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypropan-2-ol
CID 58891222
(Z)-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]but-2-en-1-ol
CID 66917960
2-(4-fluorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63239769
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31605288
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
tert-butyl N-[(3S)-5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methylpentyl]carbamate
CID 70075163
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
CID 19827128
4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 91533912
[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 146121813
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 56509402) is 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is RWXKNIJXFNWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c1-21(2,26)15-24-11-13-25(14-12-24)20(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,20,26H,11-15H2,1-2H3.
What are the key properties of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 360.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 56509402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).