2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid

C14H21N3O2 — CID 61240133

IUPAC2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCCCc1cc(N2CCCCC2CC(=O)O)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-5-11-8-13(16-10-15-11)17-7-4-3-6-12(17)9-14(18)19/h8,10,12H,2-7,9H2,1H3,(H,18,19)
InChIKeyOYMOVQVYHRFUIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid

2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid (PubChem CID 61240133) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
PubChem CID61240133
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCCCc1cc(N2CCCCC2CC(=O)O)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-5-11-8-13(16-10-15-11)17-7-4-3-6-12(17)9-14(18)19/h8,10,12H,2-7,9H2,1H3,(H,18,19)
InChIKeyOYMOVQVYHRFUIC-UHFFFAOYSA-N
XLogP2.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62587059
2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62592858
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid
CID 116972319
N-methyl-1-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63854574
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149
3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216303

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid (CID 61240133) is 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid is CCCc1cc(N2CCCCC2CC(=O)O)ncn1.
What is the InChIKey of 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The InChIKey is OYMOVQVYHRFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-5-11-8-13(16-10-15-11)17-7-4-3-6-12(17)9-14(18)19/h8,10,12H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61240133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).