1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid

C10H17N3O2 — CID 11206611

IUPAC1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C10H17N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h8H,1-7H2,(H,11,12)(H,14,15)
InChIKeyPSMHVXBCSNQEAE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.13
Rot. Bonds1

About 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid

1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 11206611) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID11206611
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C10H17N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h8H,1-7H2,(H,11,12)(H,14,15)
InChIKeyPSMHVXBCSNQEAE-UHFFFAOYSA-N
XLogP0.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid (CID 11206611) is 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C2=NCCCN2)CC1.
What is the InChIKey of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is PSMHVXBCSNQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h8H,1-7H2,(H,11,12)(H,14,15).
What are the key properties of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 11206611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).