[(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate

C27H28N2O3 — CID 87800522

IUPAC[(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate
SMILESO=COC(C[C@@H](CN1CCCC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O3/c30-19-32-26(17-21(18-29-15-5-6-16-29)20-11-13-28-14-12-20)27(31)24-9-3-1-7-22(24)23-8-2-4-10-25(23)27/h1-4,7-14,19,21,26,31H,5-6,15-18H2/t21-,26?/m0/s1
InChIKeyJKPBWZUVVKVEQJ-GVNKFJBHSA-N
MW428.53 g/mol
LogP4.11
Rot. Bonds8

About [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate

[(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate (PubChem CID 87800522) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate.

Molecular Properties

Compound Name[(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate
PubChem CID87800522
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name[(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate
SMILESO=COC(C[C@@H](CN1CCCC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O3/c30-19-32-26(17-21(18-29-15-5-6-16-29)20-11-13-28-14-12-20)27(31)24-9-3-1-7-22(24)23-8-2-4-10-25(23)27/h1-4,7-14,19,21,26,31H,5-6,15-18H2/t21-,26?/m0/s1
InChIKeyJKPBWZUVVKVEQJ-GVNKFJBHSA-N
XLogP4.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-(9-hydroxyfluoren-9-yl)-3-(pyrimidin-4-ylmethyl)-4-pyrrolidin-1-ylbutyl] formate
CID 87800276
[(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate
CID 69370959
[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate
CID 69369941
9-(3-pyrrolidin-1-ylprop-1-en-2-yl)fluoren-9-ol
CID 125496217
(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol
CID 59864499
1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
CID 45200033
3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
CID 82107783
3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol
CID 117246514
9-[(R)-phenyl(piperidin-1-yl)methyl]fluoren-9-ol
CID 15535872
1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine
CID 86042501
2-[(2R,3S)-1-oxo-3-pyridin-4-yl-1-pyrrolidin-1-ylbutan-2-yl]isoindole-1,3-dione
CID 59202005
N'-[(2S)-1-piperidin-1-ylpropan-2-yl]pyridine-4-carbohydrazide
CID 95561922

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate?
The IUPAC name of [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate (CID 87800522) is [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate.
What is the SMILES notation for [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate?
The canonical SMILES for [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate is O=COC(C[C@@H](CN1CCCC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate?
The InChIKey is JKPBWZUVVKVEQJ-GVNKFJBHSA-N. The full InChI is InChI=1S/C27H28N2O3/c30-19-32-26(17-21(18-29-15-5-6-16-29)20-11-13-28-14-12-20)27(31)24-9-3-1-7-22(24)23-8-2-4-10-25(23)27/h1-4,7-14,19,21,26,31H,5-6,15-18H2/t21-,26?/m0/s1.
What are the key properties of [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate?
[(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate has a molecular weight of 428.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(9-hydroxyfluoren-9-yl)-3-pyridin-4-yl-4-pyrrolidin-1-ylbutyl] formate is sourced from PubChem (CID 87800522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).