4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid

C19H26FNO4 — CID 166757132

IUPAC4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C19H26FNO4/c1-18(2,3)13-25-16(22)19(8-10-21(11-9-19)17(23)24)12-14-4-6-15(20)7-5-14/h4-7H,8-13H2,1-3H3,(H,23,24)
InChIKeyJFKDOIVFOVCVRA-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.72
Rot. Bonds4

About 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid

4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 166757132) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
PubChem CID166757132
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C19H26FNO4/c1-18(2,3)13-25-16(22)19(8-10-21(11-9-19)17(23)24)12-14-4-6-15(20)7-5-14/h4-7H,8-13H2,1-3H3,(H,23,24)
InChIKeyJFKDOIVFOVCVRA-UHFFFAOYSA-N
XLogP3.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid (CID 166757132) is 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid is CC(C)(C)COC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is JFKDOIVFOVCVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-18(2,3)13-25-16(22)19(8-10-21(11-9-19)17(23)24)12-14-4-6-15(20)7-5-14/h4-7H,8-13H2,1-3H3,(H,23,24).
What are the key properties of 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 351.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 166757132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).