[5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone

C31H26N2O2 — CID 91724224

IUPAC[5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N=C2c3ccccc3-c3ccccc32)cc(-c2ccccc2)c1O)N1CCCCC1
InChIInChI=1S/C31H26N2O2/c34-30-27(21-11-3-1-4-12-21)19-22(20-28(30)31(35)33-17-9-2-10-18-33)32-29-25-15-7-5-13-23(25)24-14-6-8-16-26(24)29/h1,3-8,11-16,19-20,34H,2,9-10,17-18H2
InChIKeyQGEFKPRQSZCMIO-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.83
Rot. Bonds3

About [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone

[5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone (PubChem CID 91724224) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone
PubChem CID91724224
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name[5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N=C2c3ccccc3-c3ccccc32)cc(-c2ccccc2)c1O)N1CCCCC1
InChIInChI=1S/C31H26N2O2/c34-30-27(21-11-3-1-4-12-21)19-22(20-28(30)31(35)33-17-9-2-10-18-33)32-29-25-15-7-5-13-23(25)24-14-6-8-16-26(24)29/h1,3-8,11-16,19-20,34H,2,9-10,17-18H2
InChIKeyQGEFKPRQSZCMIO-UHFFFAOYSA-N
XLogP6.83
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
CID 154351103
4-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 175705601
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
CID 43367357
8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070

Frequently Asked Questions

What is the IUPAC name of [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone (CID 91724224) is [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone is O=C(c1cc(N=C2c3ccccc3-c3ccccc32)cc(-c2ccccc2)c1O)N1CCCCC1.
What is the InChIKey of [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone?
The InChIKey is QGEFKPRQSZCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2/c34-30-27(21-11-3-1-4-12-21)19-22(20-28(30)31(35)33-17-9-2-10-18-33)32-29-25-15-7-5-13-23(25)24-14-6-8-16-26(24)29/h1,3-8,11-16,19-20,34H,2,9-10,17-18H2.
What are the key properties of [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone?
[5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone has a molecular weight of 458.56 g/mol, XLogP of 6.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoren-9-ylideneamino)-2-hydroxy-3-phenylphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91724224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).