[(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate

C28H30N2O3 — CID 69370959

IUPAC[(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OC[C@H](CCN1CCCCC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H30N2O3/c31-27(28(32)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28)33-20-22(21-12-15-29-16-13-21)14-19-30-17-6-1-7-18-30/h2-5,8-13,15-16,22,32H,1,6-7,14,17-20H2/t22-/m0/s1
InChIKeyWRJKKFLADJPYSF-QFIPXVFZSA-N
MW442.56 g/mol
LogP4.50
Rot. Bonds7

About [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate

[(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate (PubChem CID 69370959) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Name[(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate
PubChem CID69370959
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name[(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OC[C@H](CCN1CCCCC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H30N2O3/c31-27(28(32)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28)33-20-22(21-12-15-29-16-13-21)14-19-30-17-6-1-7-18-30/h2-5,8-13,15-16,22,32H,1,6-7,14,17-20H2/t22-/m0/s1
InChIKeyWRJKKFLADJPYSF-QFIPXVFZSA-N
XLogP4.50
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate?
The IUPAC name of [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate (CID 69370959) is [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate is O=C(OC[C@H](CCN1CCCCC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate?
The InChIKey is WRJKKFLADJPYSF-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30N2O3/c31-27(28(32)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28)33-20-22(21-12-15-29-16-13-21)14-19-30-17-6-1-7-18-30/h2-5,8-13,15-16,22,32H,1,6-7,14,17-20H2/t22-/m0/s1.
What are the key properties of [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate?
[(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate has a molecular weight of 442.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-piperidin-1-yl-2-pyridin-4-ylbutyl] 9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 69370959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).