4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine

C25H29FN6 — CID 110089375

IUPAC4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine
SMILESFc1ccccc1CN1CCC(c2cc(N3CCCCC3)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C25H29FN6/c26-21-7-3-2-6-20(21)18-31-14-8-19(9-15-31)22-16-24(32-12-4-1-5-13-32)30-25(29-22)23-17-27-10-11-28-23/h2-3,6-7,10-11,16-17,19H,1,4-5,8-9,12-15,18H2
InChIKeyGIGNBAJDABZJDM-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.44
Rot. Bonds5

About 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine

4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine (PubChem CID 110089375) has the molecular formula C25H29FN6 and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine
PubChem CID110089375
Molecular FormulaC25H29FN6
Molecular Weight432.55 g/mol
Exact Mass432.24
IUPAC Name4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine
SMILESFc1ccccc1CN1CCC(c2cc(N3CCCCC3)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C25H29FN6/c26-21-7-3-2-6-20(21)18-31-14-8-19(9-15-31)22-16-24(32-12-4-1-5-13-32)30-25(29-22)23-17-27-10-11-28-23/h2-3,6-7,10-11,16-17,19H,1,4-5,8-9,12-15,18H2
InChIKeyGIGNBAJDABZJDM-UHFFFAOYSA-N
XLogP4.44
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine (CID 110089375) is 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine is Fc1ccccc1CN1CCC(c2cc(N3CCCCC3)nc(-c3cnccn3)n2)CC1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine?
The InChIKey is GIGNBAJDABZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6/c26-21-7-3-2-6-20(21)18-31-14-8-19(9-15-31)22-16-24(32-12-4-1-5-13-32)30-25(29-22)23-17-27-10-11-28-23/h2-3,6-7,10-11,16-17,19H,1,4-5,8-9,12-15,18H2.
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine?
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine has a molecular weight of 432.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 110089375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).