1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid

C14H21N3O2 — CID 55161078

IUPAC1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2ncc(C)cn2)C1
InChIInChI=1S/C14H21N3O2/c1-3-5-14(12(18)19)6-4-7-17(10-14)13-15-8-11(2)9-16-13/h8-9H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyWXPFVDDITBIOKN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds4

About 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid

1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 55161078) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
PubChem CID55161078
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2ncc(C)cn2)C1
InChIInChI=1S/C14H21N3O2/c1-3-5-14(12(18)19)6-4-7-17(10-14)13-15-8-11(2)9-16-13/h8-9H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyWXPFVDDITBIOKN-UHFFFAOYSA-N
XLogP2.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid (CID 55161078) is 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(c2ncc(C)cn2)C1.
What is the InChIKey of 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is WXPFVDDITBIOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-5-14(12(18)19)6-4-7-17(10-14)13-15-8-11(2)9-16-13/h8-9H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55161078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).