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

C24H29N3O2 — CID 7730826

IUPAC(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESC=C(C)CN1CCN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c1-18(2)15-26-11-13-27(14-12-26)16-19(28)17-29-25-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,19,28H,1,11-17H2,2H3/t19-/m1/s1
InChIKeyXGLCTIBCAKEPDC-LJQANCHMSA-N
MW391.52 g/mol
LogP2.99
Rot. Bonds7

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

(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol (PubChem CID 7730826) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
PubChem CID7730826
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESC=C(C)CN1CCN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c1-18(2)15-26-11-13-27(14-12-26)16-19(28)17-29-25-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,19,28H,1,11-17H2,2H3/t19-/m1/s1
InChIKeyXGLCTIBCAKEPDC-LJQANCHMSA-N
XLogP2.99
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid
CID 18560646
1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 16798753
1-(3,5-dimethylpiperidin-1-yl)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 16896476
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 7730801
(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol
CID 2146002
2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 2146004
1-(4-benzylpiperazin-1-yl)-3-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]oxypropan-2-ol
CID 12919207
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
(2S)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-[4-[(2S)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 94249691
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol (CID 7730826) is (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol is C=C(C)CN1CCN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The InChIKey is XGLCTIBCAKEPDC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)15-26-11-13-27(14-12-26)16-19(28)17-29-25-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-10,19,28H,1,11-17H2,2H3/t19-/m1/s1.
What are the key properties of (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol?
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol has a molecular weight of 391.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 7730826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).