4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine

C14H16N4 — CID 122602482

IUPAC4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
SMILESc1ccc(N2CCCC(c3ccncn3)C2)nc1
InChIInChI=1S/C14H16N4/c1-2-7-16-14(5-1)18-9-3-4-12(10-18)13-6-8-15-11-17-13/h1-2,5-8,11-12H,3-4,9-10H2
InChIKeyMVPQINVKAWCGBI-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.26
Rot. Bonds2

About 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine

4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine (PubChem CID 122602482) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
PubChem CID122602482
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
SMILESc1ccc(N2CCCC(c3ccncn3)C2)nc1
InChIInChI=1S/C14H16N4/c1-2-7-16-14(5-1)18-9-3-4-12(10-18)13-6-8-15-11-17-13/h1-2,5-8,11-12H,3-4,9-10H2
InChIKeyMVPQINVKAWCGBI-UHFFFAOYSA-N
XLogP2.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyrazine
CID 95817344
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503
2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine
CID 132764783
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
2-methyl-4-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 97124550
2-tert-butyl-5-(3-pyrimidin-4-ylpiperidin-1-yl)-1,3,4-oxadiazole
CID 86283846
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine
CID 74242201
5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine
CID 110131586
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine?
The IUPAC name of 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine (CID 122602482) is 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine.
What is the SMILES notation for 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine?
The canonical SMILES for 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine is c1ccc(N2CCCC(c3ccncn3)C2)nc1.
What is the InChIKey of 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine?
The InChIKey is MVPQINVKAWCGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-7-16-14(5-1)18-9-3-4-12(10-18)13-6-8-15-11-17-13/h1-2,5-8,11-12H,3-4,9-10H2.
What are the key properties of 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine?
4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine has a molecular weight of 240.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine is sourced from PubChem (CID 122602482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).