1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine

C18H26F2N2 — CID 91353015

IUPAC1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
SMILESFc1cccc(N2CCN(CCC3CCCCC3)CC2)c1F
InChIInChI=1S/C18H26F2N2/c19-16-7-4-8-17(18(16)20)22-13-11-21(12-14-22)10-9-15-5-2-1-3-6-15/h4,7-8,15H,1-3,5-6,9-14H2
InChIKeyQJGWJDIKRFKHEL-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine

1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine (PubChem CID 91353015) has the molecular formula C18H26F2N2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
PubChem CID91353015
Molecular FormulaC18H26F2N2
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
SMILESFc1cccc(N2CCN(CCC3CCCCC3)CC2)c1F
InChIInChI=1S/C18H26F2N2/c19-16-7-4-8-17(18(16)20)22-13-11-21(12-14-22)10-9-15-5-2-1-3-6-15/h4,7-8,15H,1-3,5-6,9-14H2
InChIKeyQJGWJDIKRFKHEL-UHFFFAOYSA-N
XLogP4.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 91366186
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine
CID 83998643
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
CID 24781798
1-(2,3-difluorophenyl)-2,5-dihydropyrrole
CID 69194042
7-[4-[2-[4-[2-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-4-oxoheptanenitrile
CID 147708234
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
N-cyclohexyl-1-(2,3-difluorophenyl)piperidin-3-amine
CID 83999334
1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine
CID 143598821

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine?
The IUPAC name of 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine (CID 91353015) is 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine is Fc1cccc(N2CCN(CCC3CCCCC3)CC2)c1F.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine?
The InChIKey is QJGWJDIKRFKHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2/c19-16-7-4-8-17(18(16)20)22-13-11-21(12-14-22)10-9-15-5-2-1-3-6-15/h4,7-8,15H,1-3,5-6,9-14H2.
What are the key properties of 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine?
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine has a molecular weight of 308.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine is sourced from PubChem (CID 91353015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).