1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid

C23H25NO4 — CID 167717175

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCC1C(=O)O
InChIInChI=1S/C23H25NO4/c1-23(2)14-24(12-11-20(23)21(25)26)22(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,11-14H2,1-2H3,(H,25,26)
InChIKeyOBSCUGGRGSAXAJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.37
Rot. Bonds3

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid (PubChem CID 167717175) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
PubChem CID167717175
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCC1C(=O)O
InChIInChI=1S/C23H25NO4/c1-23(2)14-24(12-11-20(23)21(25)26)22(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,11-14H2,1-2H3,(H,25,26)
InChIKeyOBSCUGGRGSAXAJ-UHFFFAOYSA-N
XLogP4.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 175821641
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
CID 118798351
9H-fluoren-9-ylmethyl (3S)-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 89369729
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid (CID 167717175) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid is CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCC1C(=O)O.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid?
The InChIKey is OBSCUGGRGSAXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-23(2)14-24(12-11-20(23)21(25)26)22(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,11-14H2,1-2H3,(H,25,26).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 167717175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).