9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate

C26H26N2O2 — CID 131725247

IUPAC9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
SMILESO=C(Nc1ccccc1C1CCNCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O2/c29-26(28-25-12-6-5-7-19(25)18-13-15-27-16-14-18)30-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,18,24,27H,13-17H2,(H,28,29)
InChIKeyHRCMETAOPJRDPC-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.51
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate

9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate (PubChem CID 131725247) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
PubChem CID131725247
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
SMILESO=C(Nc1ccccc1C1CCNCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O2/c29-26(28-25-12-6-5-7-19(25)18-13-15-27-16-14-18)30-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,18,24,27H,13-17H2,(H,28,29)
InChIKeyHRCMETAOPJRDPC-UHFFFAOYSA-N
XLogP5.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate (CID 131725247) is 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate is O=C(Nc1ccccc1C1CCNCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate?
The InChIKey is HRCMETAOPJRDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-26(28-25-12-6-5-7-19(25)18-13-15-27-16-14-18)30-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,18,24,27H,13-17H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate has a molecular weight of 398.51 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate is sourced from PubChem (CID 131725247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).