2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride

C11H16ClNO3 — CID 2921000

IUPAC2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccoc1CN1CCCCC1
InChIInChI=1S/C11H15NO3.ClH/c13-11(14)9-4-7-15-10(9)8-12-5-2-1-3-6-12;/h4,7H,1-3,5-6,8H2,(H,13,14);1H
InChIKeyGUNHHVPRFINSEF-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.39
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride

2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride (PubChem CID 2921000) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride
PubChem CID2921000
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccoc1CN1CCCCC1
InChIInChI=1S/C11H15NO3.ClH/c13-11(14)9-4-7-15-10(9)8-12-5-2-1-3-6-12;/h4,7H,1-3,5-6,8H2,(H,13,14);1H
InChIKeyGUNHHVPRFINSEF-UHFFFAOYSA-N
XLogP2.39
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride (CID 2921000) is 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccoc1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride?
The InChIKey is GUNHHVPRFINSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c13-11(14)9-4-7-15-10(9)8-12-5-2-1-3-6-12;/h4,7H,1-3,5-6,8H2,(H,13,14);1H.
What are the key properties of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride?
2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 2921000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).