4-(2-piperidin-4-ylethyl)pyrimidine

C11H17N3 — CID 83847210

IUPAC4-(2-piperidin-4-ylethyl)pyrimidine
SMILESc1cc(CCC2CCNCC2)ncn1
InChIInChI=1S/C11H17N3/c1(10-3-6-12-7-4-10)2-11-5-8-13-9-14-11/h5,8-10,12H,1-4,6-7H2
InChIKeyCKQNMIQGQWQQSJ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.41
Rot. Bonds3

About 4-(2-piperidin-4-ylethyl)pyrimidine

4-(2-piperidin-4-ylethyl)pyrimidine (PubChem CID 83847210) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(2-piperidin-4-ylethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-piperidin-4-ylethyl)pyrimidine
PubChem CID83847210
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(2-piperidin-4-ylethyl)pyrimidine
SMILESc1cc(CCC2CCNCC2)ncn1
InChIInChI=1S/C11H17N3/c1(10-3-6-12-7-4-10)2-11-5-8-13-9-14-11/h5,8-10,12H,1-4,6-7H2
InChIKeyCKQNMIQGQWQQSJ-UHFFFAOYSA-N
XLogP1.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-4-ylethyl)pyrimidine?
The IUPAC name of 4-(2-piperidin-4-ylethyl)pyrimidine (CID 83847210) is 4-(2-piperidin-4-ylethyl)pyrimidine.
What is the SMILES notation for 4-(2-piperidin-4-ylethyl)pyrimidine?
The canonical SMILES for 4-(2-piperidin-4-ylethyl)pyrimidine is c1cc(CCC2CCNCC2)ncn1.
What is the InChIKey of 4-(2-piperidin-4-ylethyl)pyrimidine?
The InChIKey is CKQNMIQGQWQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1(10-3-6-12-7-4-10)2-11-5-8-13-9-14-11/h5,8-10,12H,1-4,6-7H2.
What are the key properties of 4-(2-piperidin-4-ylethyl)pyrimidine?
4-(2-piperidin-4-ylethyl)pyrimidine has a molecular weight of 191.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-4-ylethyl)pyrimidine is sourced from PubChem (CID 83847210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).