2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid

C19H22N2O2 — CID 155919687

IUPAC2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(CN3CCCCC3)cn2)c1
InChIInChI=1S/C19H22N2O2/c22-19(23)12-15-5-4-6-17(11-15)18-8-7-16(13-20-18)14-21-9-2-1-3-10-21/h4-8,11,13H,1-3,9-10,12,14H2,(H,22,23)
InChIKeyWGUMSSSWCVCSCJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.36
Rot. Bonds5

About 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid

2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid (PubChem CID 155919687) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
PubChem CID155919687
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(CN3CCCCC3)cn2)c1
InChIInChI=1S/C19H22N2O2/c22-19(23)12-15-5-4-6-17(11-15)18-8-7-16(13-20-18)14-21-9-2-1-3-10-21/h4-8,11,13H,1-3,9-10,12,14H2,(H,22,23)
InChIKeyWGUMSSSWCVCSCJ-UHFFFAOYSA-N
XLogP3.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid (CID 155919687) is 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccc(CN3CCCCC3)cn2)c1.
What is the InChIKey of 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid?
The InChIKey is WGUMSSSWCVCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(23)12-15-5-4-6-17(11-15)18-8-7-16(13-20-18)14-21-9-2-1-3-10-21/h4-8,11,13H,1-3,9-10,12,14H2,(H,22,23).
What are the key properties of 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid?
2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid has a molecular weight of 310.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid is sourced from PubChem (CID 155919687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).