4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine

C17H21N3O — CID 1476667

IUPAC4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine
SMILESCOCc1cc(N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c1-21-13-15-12-16(20-10-6-3-7-11-20)19-17(18-15)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyTUWCMYFZNDEZPG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.28
Rot. Bonds4

About 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine

4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine (PubChem CID 1476667) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine
PubChem CID1476667
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine
SMILESCOCc1cc(N2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c1-21-13-15-12-16(20-10-6-3-7-11-20)19-17(18-15)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyTUWCMYFZNDEZPG-UHFFFAOYSA-N
XLogP3.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine (CID 1476667) is 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine is COCc1cc(N2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine?
The InChIKey is TUWCMYFZNDEZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-13-15-12-16(20-10-6-3-7-11-20)19-17(18-15)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine?
4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine has a molecular weight of 283.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-phenyl-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 1476667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).