9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate

C21H23NO3 — CID 63310303

IUPAC9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(CO)CC1
InChIInChI=1S/C21H23NO3/c23-13-15-9-11-22(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20,23H,9-14H2
InChIKeyYYTSXYVXBGQKCP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.64
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate

9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 63310303) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID63310303
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(CO)CC1
InChIInChI=1S/C21H23NO3/c23-13-15-9-11-22(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20,23H,9-14H2
InChIKeyYYTSXYVXBGQKCP-UHFFFAOYSA-N
XLogP3.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
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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 4-cyanopiperidine-1-carboxylate
CID 2757965
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
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1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate (CID 63310303) is 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(CO)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is YYTSXYVXBGQKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-13-15-9-11-22(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20,23H,9-14H2.
What are the key properties of 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 63310303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).