1-piperidin-1-yl-2H-pyrimidine

C9H15N3 — CID 154166691

IUPAC1-piperidin-1-yl-2H-pyrimidine
SMILESC1=CN(N2CCCCC2)CN=C1
InChIInChI=1S/C9H15N3/c1-2-6-11(7-3-1)12-8-4-5-10-9-12/h4-5,8H,1-3,6-7,9H2
InChIKeyPBBASIKXDKYSLT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.24
Rot. Bonds1

About 1-piperidin-1-yl-2H-pyrimidine

1-piperidin-1-yl-2H-pyrimidine (PubChem CID 154166691) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-piperidin-1-yl-2H-pyrimidine.

Molecular Properties

Compound Name1-piperidin-1-yl-2H-pyrimidine
PubChem CID154166691
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-piperidin-1-yl-2H-pyrimidine
SMILESC1=CN(N2CCCCC2)CN=C1
InChIInChI=1S/C9H15N3/c1-2-6-11(7-3-1)12-8-4-5-10-9-12/h4-5,8H,1-3,6-7,9H2
InChIKeyPBBASIKXDKYSLT-UHFFFAOYSA-N
XLogP1.24
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2H-pyrimidine?
The IUPAC name of 1-piperidin-1-yl-2H-pyrimidine (CID 154166691) is 1-piperidin-1-yl-2H-pyrimidine.
What is the SMILES notation for 1-piperidin-1-yl-2H-pyrimidine?
The canonical SMILES for 1-piperidin-1-yl-2H-pyrimidine is C1=CN(N2CCCCC2)CN=C1.
What is the InChIKey of 1-piperidin-1-yl-2H-pyrimidine?
The InChIKey is PBBASIKXDKYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-6-11(7-3-1)12-8-4-5-10-9-12/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-piperidin-1-yl-2H-pyrimidine?
1-piperidin-1-yl-2H-pyrimidine has a molecular weight of 165.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2H-pyrimidine is sourced from PubChem (CID 154166691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).