9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate

C23H23N3O3 — CID 118160798

IUPAC9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(O)(c2cnc[nH]2)CC1
InChIInChI=1S/C23H23N3O3/c27-22(26-11-9-23(28,10-12-26)21-13-24-15-25-21)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20,28H,9-12,14H2,(H,24,25)
InChIKeyPBIIHMCUCQKANT-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.64
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate

9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate (PubChem CID 118160798) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate
PubChem CID118160798
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Name9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(O)(c2cnc[nH]2)CC1
InChIInChI=1S/C23H23N3O3/c27-22(26-11-9-23(28,10-12-26)21-13-24-15-25-21)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20,28H,9-12,14H2,(H,24,25)
InChIKeyPBIIHMCUCQKANT-UHFFFAOYSA-N
XLogP3.64
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate (CID 118160798) is 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(O)(c2cnc[nH]2)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate?
The InChIKey is PBIIHMCUCQKANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(26-11-9-23(28,10-12-26)21-13-24-15-25-21)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20,28H,9-12,14H2,(H,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-hydroxy-4-(1H-imidazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118160798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).