[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate

C27H28N2O3 — CID 69369941

IUPAC[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OCC(C[C@H]1CCCNC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O3/c30-26(27(31)24-9-3-1-7-22(24)23-8-2-4-10-25(23)27)32-18-21(20-11-14-28-15-12-20)16-19-6-5-13-29-17-19/h1-4,7-12,14-15,19,21,29,31H,5-6,13,16-18H2/t19-,21?/m1/s1
InChIKeyWNJCUJIENMEQBV-YMBRHYMPSA-N
MW428.53 g/mol
LogP4.01
Rot. Bonds6

About [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate

[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate (PubChem CID 69369941) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Name[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate
PubChem CID69369941
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OCC(C[C@H]1CCCNC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O3/c30-26(27(31)24-9-3-1-7-22(24)23-8-2-4-10-25(23)27)32-18-21(20-11-14-28-15-12-20)16-19-6-5-13-29-17-19/h1-4,7-12,14-15,19,21,29,31H,5-6,13,16-18H2/t19-,21?/m1/s1
InChIKeyWNJCUJIENMEQBV-YMBRHYMPSA-N
XLogP4.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3R)-piperidin-3-yl]-2-pyrimidin-5-ylpropyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 69369422
4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine
CID 139296538
[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate
CID 69356259
[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69371647
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
1-[2-(3-piperidin-3-ylpropoxy)phenyl]cyclohexa-2,4-diene-1-carboxylic acid
CID 175278972
9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol
CID 22301281
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
piperidin-3-ylmethyl benzoate
CID 53409803
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate?
The IUPAC name of [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate (CID 69369941) is [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate is O=C(OCC(C[C@H]1CCCNC1)c1ccncc1)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate?
The InChIKey is WNJCUJIENMEQBV-YMBRHYMPSA-N. The full InChI is InChI=1S/C27H28N2O3/c30-26(27(31)24-9-3-1-7-22(24)23-8-2-4-10-25(23)27)32-18-21(20-11-14-28-15-12-20)16-19-6-5-13-29-17-19/h1-4,7-12,14-15,19,21,29,31H,5-6,13,16-18H2/t19-,21?/m1/s1.
What are the key properties of [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate?
[3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate has a molecular weight of 428.53 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpropyl] 9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 69369941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).