9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate

C21H20ClNO3 — CID 86647451

IUPAC9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
SMILESO=C(Cl)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H20ClNO3/c22-20(24)14-9-11-23(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2
InChIKeyPUJQNPZDZUEGHE-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.41
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate

9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate (PubChem CID 86647451) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
PubChem CID86647451
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
SMILESO=C(Cl)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H20ClNO3/c22-20(24)14-9-11-23(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2
InChIKeyPUJQNPZDZUEGHE-UHFFFAOYSA-N
XLogP4.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
CID 139393952
9H-fluoren-9-ylmethyl (3R)-3-(2-bromoacetyl)piperidine-1-carboxylate;9H-fluoren-9-ylmethyl (3R)-3-carbonochloridoylpiperidine-1-carboxylate
CID 158769633
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate (CID 86647451) is 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate is O=C(Cl)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate?
The InChIKey is PUJQNPZDZUEGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c22-20(24)14-9-11-23(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2.
What are the key properties of 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate has a molecular weight of 369.85 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate is sourced from PubChem (CID 86647451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).