4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid

C27H25NO4 — CID 69359350

IUPAC4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)CC1
InChIInChI=1S/C27H25NO4/c29-25(27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(30)31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,30,31)
InChIKeyHSKNMVTWNSLPDW-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.05
Rot. Bonds4

About 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid

4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid (PubChem CID 69359350) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
PubChem CID69359350
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)CC1
InChIInChI=1S/C27H25NO4/c29-25(27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(30)31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,30,31)
InChIKeyHSKNMVTWNSLPDW-UHFFFAOYSA-N
XLogP5.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 4-carbonochloridoyl-4-phenylpiperidine-1-carboxylate
CID 59840495
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 74892117
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
3-(3-bromophenyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 146049077
9-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 174208682
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid (CID 69359350) is 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid is O=C(O)N1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)CC1.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is HSKNMVTWNSLPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c29-25(27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(30)31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,30,31).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid?
4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 69359350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).