1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid

C13H19NO3 — CID 106745373

IUPAC1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)c1ccoc1
InChIInChI=1S/C13H19NO3/c1-9-7-11(13(15)16)3-5-14(9)10(2)12-4-6-17-8-12/h4,6,8-11H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyUHJGQQJFYGMQHW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.53
Rot. Bonds3

About 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid

1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745373) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745373
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)c1ccoc1
InChIInChI=1S/C13H19NO3/c1-9-7-11(13(15)16)3-5-14(9)10(2)12-4-6-17-8-12/h4,6,8-11H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyUHJGQQJFYGMQHW-UHFFFAOYSA-N
XLogP2.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid (CID 106745373) is 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(C)c1ccoc1.
What is the InChIKey of 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is UHJGQQJFYGMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-11(13(15)16)3-5-14(9)10(2)12-4-6-17-8-12/h4,6,8-11H,3,5,7H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid?
1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).