2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine

C15H23N3O2 — CID 71976806

IUPAC2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(OCC3CCCCO3)CC2)nc1
InChIInChI=1S/C15H23N3O2/c1-2-11-19-14(4-1)12-20-13-5-9-18(10-6-13)15-16-7-3-8-17-15/h3,7-8,13-14H,1-2,4-6,9-12H2
InChIKeyNIUNMAFHZGISKW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine

2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine (PubChem CID 71976806) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine
PubChem CID71976806
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(OCC3CCCCO3)CC2)nc1
InChIInChI=1S/C15H23N3O2/c1-2-11-19-14(4-1)12-20-13-5-9-18(10-6-13)15-16-7-3-8-17-15/h3,7-8,13-14H,1-2,4-6,9-12H2
InChIKeyNIUNMAFHZGISKW-UHFFFAOYSA-N
XLogP2.03
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine (CID 71976806) is 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine is c1cnc(N2CCC(OCC3CCCCO3)CC2)nc1.
What is the InChIKey of 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The InChIKey is NIUNMAFHZGISKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-11-19-14(4-1)12-20-13-5-9-18(10-6-13)15-16-7-3-8-17-15/h3,7-8,13-14H,1-2,4-6,9-12H2.
What are the key properties of 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine?
2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine has a molecular weight of 277.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 71976806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).