1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid

C14H22N4O2 — CID 66570081

IUPAC1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCCN(CC)c1cc(N2CCCC(C(=O)O)C2)ncn1
InChIInChI=1S/C14H22N4O2/c1-3-17(4-2)12-8-13(16-10-15-12)18-7-5-6-11(9-18)14(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyGFBBADRWGIVTER-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.62
Rot. Bonds5

About 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid

1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 66570081) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID66570081
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCCN(CC)c1cc(N2CCCC(C(=O)O)C2)ncn1
InChIInChI=1S/C14H22N4O2/c1-3-17(4-2)12-8-13(16-10-15-12)18-7-5-6-11(9-18)14(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyGFBBADRWGIVTER-UHFFFAOYSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine
CID 86318094
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 122051078
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 66570081) is 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid is CCN(CC)c1cc(N2CCCC(C(=O)O)C2)ncn1.
What is the InChIKey of 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is GFBBADRWGIVTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-17(4-2)12-8-13(16-10-15-12)18-7-5-6-11(9-18)14(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 66570081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).