4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C14H23F2NO4 — CID 69472740

IUPAC4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCC(F)F)CC1C(=O)O
InChIInChI=1S/C14H23F2NO4/c1-14(2,3)21-13(20)17-7-6-9(4-5-11(15)16)8-10(17)12(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeySYQRYCROIWFJLK-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.13
Rot. Bonds4

About 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 69472740) has the molecular formula C14H23F2NO4 and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID69472740
Molecular FormulaC14H23F2NO4
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Name4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCC(F)F)CC1C(=O)O
InChIInChI=1S/C14H23F2NO4/c1-14(2,3)21-13(20)17-7-6-9(4-5-11(15)16)8-10(17)12(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeySYQRYCROIWFJLK-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 69472740) is 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CCC(F)F)CC1C(=O)O.
What is the InChIKey of 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is SYQRYCROIWFJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO4/c1-14(2,3)21-13(20)17-7-6-9(4-5-11(15)16)8-10(17)12(18)19/h9-11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 307.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 69472740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).