1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

C11H15N3O2 — CID 23607535

IUPAC1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1ccnc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C11H15N3O2/c1-8-2-5-12-11(13-8)14-6-3-9(4-7-14)10(15)16/h2,5,9H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyLIHYEZQZNBZFJB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.09
Rot. Bonds2

About 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 23607535) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID23607535
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1ccnc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C11H15N3O2/c1-8-2-5-12-11(13-8)14-6-3-9(4-7-14)10(15)16/h2,5,9H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyLIHYEZQZNBZFJB-UHFFFAOYSA-N
XLogP1.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 23607535) is 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is Cc1ccnc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is LIHYEZQZNBZFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-5-12-11(13-8)14-6-3-9(4-7-14)10(15)16/h2,5,9H,3-4,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 23607535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).