9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate

C20H21NO3 — CID 72942464

IUPAC9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H](O)C1
InChIInChI=1S/C20H21NO3/c22-14-6-5-11-21(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19,22H,5-6,11-13H2/t14-/m0/s1
InChIKeyUPMBUSIITKEKOM-AWEZNQCLSA-N
MW323.39 g/mol
LogP3.39
Rot. Bonds2

About 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate

9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate (PubChem CID 72942464) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate
PubChem CID72942464
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H](O)C1
InChIInChI=1S/C20H21NO3/c22-14-6-5-11-21(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19,22H,5-6,11-13H2/t14-/m0/s1
InChIKeyUPMBUSIITKEKOM-AWEZNQCLSA-N
XLogP3.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate (CID 72942464) is 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H](O)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is UPMBUSIITKEKOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21NO3/c22-14-6-5-11-21(12-14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19,22H,5-6,11-13H2/t14-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 72942464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).