O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine

C21H27F2N3O — CID 143277406

IUPACO-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine
SMILESCC(CON)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27F2N3O/c1-16(15-27-24)14-25-10-12-26(13-11-25)21(17-2-6-19(22)7-3-17)18-4-8-20(23)9-5-18/h2-9,16,21H,10-15,24H2,1H3
InChIKeyFKEMRAVISPTQFA-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.20
Rot. Bonds7

About O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine

O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine (PubChem CID 143277406) has the molecular formula C21H27F2N3O and a molecular weight of 375.46 g/mol. Its IUPAC name is O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine
PubChem CID143277406
Molecular FormulaC21H27F2N3O
Molecular Weight375.46 g/mol
Exact Mass375.21
IUPAC NameO-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine
SMILESCC(CON)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27F2N3O/c1-16(15-27-24)14-25-10-12-26(13-11-25)21(17-2-6-19(22)7-3-17)18-4-8-20(23)9-5-18/h2-9,16,21H,10-15,24H2,1H3
InChIKeyFKEMRAVISPTQFA-UHFFFAOYSA-N
XLogP3.20
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Cyclizine
CID 6726
Flunarizine
CID 941361
Flunarizine Hydrochloride
CID 5282407
Cyclizine Hydrochloride
CID 6420019
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Cyclizine dihydrochloride
CID 67533
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 449639
4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propen-1-yl)piperazine
CID 3378
1-[Bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;hydrochloride
CID 6365505
trans-1-(4-Fluorobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 9999116
1-Benzyl-4-(1-methyl-3-phenylpropyl)piperazine
CID 2846431

Frequently Asked Questions

What is the IUPAC name of O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine?
The IUPAC name of O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine (CID 143277406) is O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine.
What is the SMILES notation for O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine?
The canonical SMILES for O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine is CC(CON)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine?
The InChIKey is FKEMRAVISPTQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O/c1-16(15-27-24)14-25-10-12-26(13-11-25)21(17-2-6-19(22)7-3-17)18-4-8-20(23)9-5-18/h2-9,16,21H,10-15,24H2,1H3.
What are the key properties of O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine?
O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine has a molecular weight of 375.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropyl]hydroxylamine is sourced from PubChem (CID 143277406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).