1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C20H29FN2 — CID 2867933

IUPAC1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1cccc(CN2CCN3CCCC3C2C2CCCCC2)c1
InChIInChI=1S/C20H29FN2/c21-18-9-4-6-16(14-18)15-23-13-12-22-11-5-10-19(22)20(23)17-7-2-1-3-8-17/h4,6,9,14,17,19-20H,1-3,5,7-8,10-13,15H2
InChIKeyDHMMQFBVMCMNCO-UHFFFAOYSA-N
MW316.46 g/mol
LogP4.05
Rot. Bonds3

About 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 2867933) has the molecular formula C20H29FN2 and a molecular weight of 316.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID2867933
Molecular FormulaC20H29FN2
Molecular Weight316.46 g/mol
Exact Mass316.23
IUPAC Name1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1cccc(CN2CCN3CCCC3C2C2CCCCC2)c1
InChIInChI=1S/C20H29FN2/c21-18-9-4-6-16(14-18)15-23-13-12-22-11-5-10-19(22)20(23)17-7-2-1-3-8-17/h4,6,9,14,17,19-20H,1-3,5,7-8,10-13,15H2
InChIKeyDHMMQFBVMCMNCO-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 2867933) is 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Fc1cccc(CN2CCN3CCCC3C2C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is DHMMQFBVMCMNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2/c21-18-9-4-6-16(14-18)15-23-13-12-22-11-5-10-19(22)20(23)17-7-2-1-3-8-17/h4,6,9,14,17,19-20H,1-3,5,7-8,10-13,15H2.
What are the key properties of 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 316.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(3-fluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2867933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).