2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid

C11H15N3O2 — CID 61254512

IUPAC2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCCN1c1ccncn1
InChIInChI=1S/C11H15N3O2/c15-11(16)7-9-3-1-2-6-14(9)10-4-5-12-8-13-10/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyRQLYXHBJNJMNLJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.31
Rot. Bonds3

About 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid

2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid (PubChem CID 61254512) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid
PubChem CID61254512
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCCN1c1ccncn1
InChIInChI=1S/C11H15N3O2/c15-11(16)7-9-3-1-2-6-14(9)10-4-5-12-8-13-10/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyRQLYXHBJNJMNLJ-UHFFFAOYSA-N
XLogP1.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid?
The IUPAC name of 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid (CID 61254512) is 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid is O=C(O)CC1CCCCN1c1ccncn1.
What is the InChIKey of 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid?
The InChIKey is RQLYXHBJNJMNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)7-9-3-1-2-6-14(9)10-4-5-12-8-13-10/h4-5,8-9H,1-3,6-7H2,(H,15,16).
What are the key properties of 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid?
2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-4-ylpiperidin-2-yl)acetic acid is sourced from PubChem (CID 61254512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).