2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine

C23H25N3O2 — CID 24732938

IUPAC2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
SMILESCOCc1ccc(-c2ccc(OC3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-27-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)28-22-11-15-26(16-12-22)23-24-13-2-14-25-23/h2-10,13-14,22H,11-12,15-17H2,1H3
InChIKeyJXWXUOMICSTQFP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine

2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine (PubChem CID 24732938) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
PubChem CID24732938
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
SMILESCOCc1ccc(-c2ccc(OC3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-27-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)28-22-11-15-26(16-12-22)23-24-13-2-14-25-23/h2-10,13-14,22H,11-12,15-17H2,1H3
InChIKeyJXWXUOMICSTQFP-UHFFFAOYSA-N
XLogP4.34
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine (CID 24732938) is 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine is COCc1ccc(-c2ccc(OC3CCN(c4ncccn4)CC3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine?
The InChIKey is JXWXUOMICSTQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-27-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)28-22-11-15-26(16-12-22)23-24-13-2-14-25-23/h2-10,13-14,22H,11-12,15-17H2,1H3.
What are the key properties of 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine?
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine has a molecular weight of 375.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 24732938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).