2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine

C24H26FN3O2 — CID 95819239

IUPAC2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine
SMILESCOc1ccccc1-c1nccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C24H26FN3O2/c1-29-22-7-3-2-6-21(22)24-23(26-12-13-27-24)18-5-4-14-28(17-18)15-16-30-20-10-8-19(25)9-11-20/h2-3,6-13,18H,4-5,14-17H2,1H3/t18-/m1/s1
InChIKeyMZJMRKVTPVPKSI-GOSISDBHSA-N
MW407.49 g/mol
LogP4.55
Rot. Bonds7

About 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine

2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine (PubChem CID 95819239) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine
PubChem CID95819239
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine
SMILESCOc1ccccc1-c1nccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C24H26FN3O2/c1-29-22-7-3-2-6-21(22)24-23(26-12-13-27-24)18-5-4-14-28(17-18)15-16-30-20-10-8-19(25)9-11-20/h2-3,6-13,18H,4-5,14-17H2,1H3/t18-/m1/s1
InChIKeyMZJMRKVTPVPKSI-GOSISDBHSA-N
XLogP4.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine?
The IUPAC name of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine (CID 95819239) is 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine.
What is the SMILES notation for 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine?
The canonical SMILES for 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine is COc1ccccc1-c1nccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine?
The InChIKey is MZJMRKVTPVPKSI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-29-22-7-3-2-6-21(22)24-23(26-12-13-27-24)18-5-4-14-28(17-18)15-16-30-20-10-8-19(25)9-11-20/h2-3,6-13,18H,4-5,14-17H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine?
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine has a molecular weight of 407.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine is sourced from PubChem (CID 95819239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).