5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid

C18H20N2O2 — CID 82535114

IUPAC5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H20N2O2/c21-18(22)16-11-17(13-19-12-16)20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,21,22)
InChIKeyUNPWPXBSRGKWHM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.24
Rot. Bonds4

About 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid

5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 82535114) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID82535114
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H20N2O2/c21-18(22)16-11-17(13-19-12-16)20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,21,22)
InChIKeyUNPWPXBSRGKWHM-UHFFFAOYSA-N
XLogP3.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231990
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 82535114) is 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is UNPWPXBSRGKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(22)16-11-17(13-19-12-16)20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,21,22).
What are the key properties of 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82535114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).