2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine

C16H25N3O — CID 124755852

IUPAC2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
SMILESCc1nccc(C2CCN(C[C@H]3CCCOC3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-13-17-7-4-16(18-13)15-5-8-19(9-6-15)11-14-3-2-10-20-12-14/h4,7,14-15H,2-3,5-6,8-12H2,1H3/t14-/m1/s1
InChIKeyRHFIZUMEKDZRJE-CQSZACIVSA-N
MW275.40 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine

2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine (PubChem CID 124755852) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
PubChem CID124755852
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
SMILESCc1nccc(C2CCN(C[C@H]3CCCOC3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-13-17-7-4-16(18-13)15-5-8-19(9-6-15)11-14-3-2-10-20-12-14/h4,7,14-15H,2-3,5-6,8-12H2,1H3/t14-/m1/s1
InChIKeyRHFIZUMEKDZRJE-CQSZACIVSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine (CID 124755852) is 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine is Cc1nccc(C2CCN(C[C@H]3CCCOC3)CC2)n1.
What is the InChIKey of 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine?
The InChIKey is RHFIZUMEKDZRJE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-17-7-4-16(18-13)15-5-8-19(9-6-15)11-14-3-2-10-20-12-14/h4,7,14-15H,2-3,5-6,8-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine?
2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine is sourced from PubChem (CID 124755852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).