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

C27H27NO2 — CID 102221470

IUPAC9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H27NO2/c29-27(28-16-14-21(15-17-28)18-20-8-2-1-3-9-20)30-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,21,26H,14-19H2
InChIKeyJZCPZJRUOBUQLO-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.89
Rot. Bonds4

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

9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate (PubChem CID 102221470) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
PubChem CID102221470
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H27NO2/c29-27(28-16-14-21(15-17-28)18-20-8-2-1-3-9-20)30-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,21,26H,14-19H2
InChIKeyJZCPZJRUOBUQLO-UHFFFAOYSA-N
XLogP5.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
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
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate (CID 102221470) is 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate?
The InChIKey is JZCPZJRUOBUQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c29-27(28-16-14-21(15-17-28)18-20-8-2-1-3-9-20)30-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,21,26H,14-19H2.
What are the key properties of 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate has a molecular weight of 397.52 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 102221470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).