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

C21H20N2O2 — CID 2757965

IUPAC9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H20N2O2/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-12,14H2
InChIKeyRASKRSBORLJDKF-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.17
Rot. Bonds2

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

9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate (PubChem CID 2757965) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
PubChem CID2757965
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H20N2O2/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-12,14H2
InChIKeyRASKRSBORLJDKF-UHFFFAOYSA-N
XLogP4.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63310303
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9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
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4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
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9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
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9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
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9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate (CID 2757965) is 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate is N#CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate?
The InChIKey is RASKRSBORLJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-12,14H2.
What are the key properties of 9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.17, 2 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-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 2757965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).