1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

C27H29N3O2 — CID 16798753

IUPAC1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc(N2CCN(CC(O)CON=C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C27H29N3O2/c1-20-10-12-21(13-11-20)30-16-14-29(15-17-30)18-22(31)19-32-28-27-25-8-4-2-6-23(25)24-7-3-5-9-26(24)27/h2-13,22,31H,14-19H2,1H3
InChIKeyYRYNPSIHZNAKSU-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.93
Rot. Bonds6

About 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 16798753) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID16798753
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc(N2CCN(CC(O)CON=C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C27H29N3O2/c1-20-10-12-21(13-11-20)30-16-14-29(15-17-30)18-22(31)19-32-28-27-25-8-4-2-6-23(25)24-7-3-5-9-26(24)27/h2-13,22,31H,14-19H2,1H3
InChIKeyYRYNPSIHZNAKSU-UHFFFAOYSA-N
XLogP3.93
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 7730826
1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid
CID 18560646
1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 44785164
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 696962
1-(3,5-dimethylpiperidin-1-yl)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 16896476
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine
CID 90145475
1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652

Frequently Asked Questions

What is the IUPAC name of 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (CID 16798753) is 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is Cc1ccc(N2CCN(CC(O)CON=C3c4ccccc4-c4ccccc43)CC2)cc1.
What is the InChIKey of 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is YRYNPSIHZNAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-10-12-21(13-11-20)30-16-14-29(15-17-30)18-22(31)19-32-28-27-25-8-4-2-6-23(25)24-7-3-5-9-26(24)27/h2-13,22,31H,14-19H2,1H3.
What are the key properties of 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 427.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 16798753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).