2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine

C20H22FN5O — CID 70966400

IUPAC2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cnc(N3CCC(Oc4ccccc4CF)CC3)nc2)cn1
InChIInChI=1S/C20H22FN5O/c1-25-14-17(13-24-25)16-11-22-20(23-12-16)26-8-6-18(7-9-26)27-19-5-3-2-4-15(19)10-21/h2-5,11-14,18H,6-10H2,1H3
InChIKeyYUJJYTWNKRERLG-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine

2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 70966400) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID70966400
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cnc(N3CCC(Oc4ccccc4CF)CC3)nc2)cn1
InChIInChI=1S/C20H22FN5O/c1-25-14-17(13-24-25)16-11-22-20(23-12-16)26-8-6-18(7-9-26)27-19-5-3-2-4-15(19)10-21/h2-5,11-14,18H,6-10H2,1H3
InChIKeyYUJJYTWNKRERLG-UHFFFAOYSA-N
XLogP3.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine (CID 70966400) is 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cnc(N3CCC(Oc4ccccc4CF)CC3)nc2)cn1.
What is the InChIKey of 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is YUJJYTWNKRERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-25-14-17(13-24-25)16-11-22-20(23-12-16)26-8-6-18(7-9-26)27-19-5-3-2-4-15(19)10-21/h2-5,11-14,18H,6-10H2,1H3.
What are the key properties of 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine?
2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 367.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 70966400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).