1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid

C12H22FNO2 — CID 81113636

IUPAC1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCF)CC1
InChIInChI=1S/C12H22FNO2/c1-2-4-12(11(15)16)5-9-14(10-6-12)8-3-7-13/h2-10H2,1H3,(H,15,16)
InChIKeyIEUPTMLAGVXCEX-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.31
Rot. Bonds6

About 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid

1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 81113636) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID81113636
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCF)CC1
InChIInChI=1S/C12H22FNO2/c1-2-4-12(11(15)16)5-9-14(10-6-12)8-3-7-13/h2-10H2,1H3,(H,15,16)
InChIKeyIEUPTMLAGVXCEX-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid (CID 81113636) is 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is IEUPTMLAGVXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-2-4-12(11(15)16)5-9-14(10-6-12)8-3-7-13/h2-10H2,1H3,(H,15,16).
What are the key properties of 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 231.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 81113636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).