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

C20H28F2N2 — CID 2867943

IUPAC1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccc(CN2CCN3CCCC3C2C2CCCCC2)cc1F
InChIInChI=1S/C20H28F2N2/c21-17-9-8-15(13-18(17)22)14-24-12-11-23-10-4-7-19(23)20(24)16-5-2-1-3-6-16/h8-9,13,16,19-20H,1-7,10-12,14H2
InChIKeyPAVUUPCGSDKDRN-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.19
Rot. Bonds3

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

1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 2867943) has the molecular formula C20H28F2N2 and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID2867943
Molecular FormulaC20H28F2N2
Molecular Weight334.45 g/mol
Exact Mass334.22
IUPAC Name1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccc(CN2CCN3CCCC3C2C2CCCCC2)cc1F
InChIInChI=1S/C20H28F2N2/c21-17-9-8-15(13-18(17)22)14-24-12-11-23-10-4-7-19(23)20(24)16-5-2-1-3-6-16/h8-9,13,16,19-20H,1-7,10-12,14H2
InChIKeyPAVUUPCGSDKDRN-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 2867943) is 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Fc1ccc(CN2CCN3CCCC3C2C2CCCCC2)cc1F.
What is the InChIKey of 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PAVUUPCGSDKDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2/c21-17-9-8-15(13-18(17)22)14-24-12-11-23-10-4-7-19(23)20(24)16-5-2-1-3-6-16/h8-9,13,16,19-20H,1-7,10-12,14H2.
What are the key properties of 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 334.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2867943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).