3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine

C11H21N3 — CID 67626098

IUPAC3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine
SMILESC1=CN(CCN2CCCCC2)CNC1
InChIInChI=1S/C11H21N3/c1-2-6-13(7-3-1)9-10-14-8-4-5-12-11-14/h4,8,12H,1-3,5-7,9-11H2
InChIKeyPGCLNQDHMAENBV-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.85
Rot. Bonds3

About 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine

3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine (PubChem CID 67626098) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine
PubChem CID67626098
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine
SMILESC1=CN(CCN2CCCCC2)CNC1
InChIInChI=1S/C11H21N3/c1-2-6-13(7-3-1)9-10-14-8-4-5-12-11-14/h4,8,12H,1-3,5-7,9-11H2
InChIKeyPGCLNQDHMAENBV-UHFFFAOYSA-N
XLogP0.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine (CID 67626098) is 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine is C1=CN(CCN2CCCCC2)CNC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine?
The InChIKey is PGCLNQDHMAENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-6-13(7-3-1)9-10-14-8-4-5-12-11-14/h4,8,12H,1-3,5-7,9-11H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine?
3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine has a molecular weight of 195.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 67626098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).