9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate

C21H23NO3 — CID 18915804

IUPAC9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC1CO
InChIInChI=1S/C21H23NO3/c23-13-15-7-5-6-12-22(15)21(24)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,23H,5-7,12-14H2
InChIKeyZBORKCVXTSTNRK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.78
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate

9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 18915804) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID18915804
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC1CO
InChIInChI=1S/C21H23NO3/c23-13-15-7-5-6-12-22(15)21(24)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,23H,5-7,12-14H2
InChIKeyZBORKCVXTSTNRK-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9H-Fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
CID 100106
1-((tert-butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid
CID 2756797
Fmoc-Pro-OH
CID 688135
1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperidine-4-carboxylic acid
CID 2736490
(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
CID 983042
2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}({[(9H-fluoren-9-yl)methoxy]carbonyl})amino)acetic acid
CID 2756163
(9H-fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate
CID 2817739
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-methylpentanoic acid
CID 7015835
Fmoc-N-(Allyl)-Glycine
CID 10640670
(2R)-1-((9H-fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid
CID 688136
2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid
CID 688640
(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid
CID 978328

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate (CID 18915804) is 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC1CO.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is ZBORKCVXTSTNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-13-15-7-5-6-12-22(15)21(24)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,23H,5-7,12-14H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.78, 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 2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 18915804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).