1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one

C23H27NO — CID 566621

IUPAC1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H27NO/c25-23(10-4-7-15-24-13-5-1-6-14-24)19-11-12-22-20(17-19)16-18-8-2-3-9-21(18)22/h2-3,8-9,11-12,17H,1,4-7,10,13-16H2
InChIKeyJMISALVCVQUCJS-UHFFFAOYSA-N
MW333.47 g/mol
LogP5.10
Rot. Bonds6

About 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one

1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one (PubChem CID 566621) has the molecular formula C23H27NO and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one
PubChem CID566621
Molecular FormulaC23H27NO
Molecular Weight333.47 g/mol
Exact Mass333.21
IUPAC Name1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H27NO/c25-23(10-4-7-15-24-13-5-1-6-14-24)19-11-12-22-20(17-19)16-18-8-2-3-9-21(18)22/h2-3,8-9,11-12,17H,1,4-7,10,13-16H2
InChIKeyJMISALVCVQUCJS-UHFFFAOYSA-N
XLogP5.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one?
The IUPAC name of 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one (CID 566621) is 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one?
The canonical SMILES for 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one is O=C(CCCCN1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one?
The InChIKey is JMISALVCVQUCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c25-23(10-4-7-15-24-13-5-1-6-14-24)19-11-12-22-20(17-19)16-18-8-2-3-9-21(18)22/h2-3,8-9,11-12,17H,1,4-7,10,13-16H2.
What are the key properties of 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one?
1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one has a molecular weight of 333.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-5-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 566621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).