1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine

C19H27F3N2 — CID 143598821

IUPAC1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine
SMILESCC1CCC(CCN2CCN(c3cc(F)c(F)cc3F)CC2)CC1
InChIInChI=1S/C19H27F3N2/c1-14-2-4-15(5-3-14)6-7-23-8-10-24(11-9-23)19-13-17(21)16(20)12-18(19)22/h12-15H,2-11H2,1H3
InChIKeyUTWMYFZBDIJDCU-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.44
Rot. Bonds4

About 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine

1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine (PubChem CID 143598821) has the molecular formula C19H27F3N2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine
PubChem CID143598821
Molecular FormulaC19H27F3N2
Molecular Weight340.43 g/mol
Exact Mass340.21
IUPAC Name1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine
SMILESCC1CCC(CCN2CCN(c3cc(F)c(F)cc3F)CC2)CC1
InChIInChI=1S/C19H27F3N2/c1-14-2-4-15(5-3-14)6-7-23-8-10-24(11-9-23)19-13-17(21)16(20)12-18(19)22/h12-15H,2-11H2,1H3
InChIKeyUTWMYFZBDIJDCU-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
1-(5-fluoro-2-methylphenyl)-4-[2-(4-methylcyclohexyl)ethyl]piperazine;3-oxobutanenitrile
CID 143598669
3-[4-[2-(4-methylcyclohexyl)ethyl]piperazin-1-yl]benzonitrile
CID 166832836
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
3,7-dimethyl-1-(2,4,5-trifluorophenyl)-1,5-diazocane
CID 62809717
6-methyl-1-(2,4,5-trifluorophenyl)-1,4-diazepane
CID 62809368
N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 62816102
1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
CID 24781798
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine?
The IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine (CID 143598821) is 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine is CC1CCC(CCN2CCN(c3cc(F)c(F)cc3F)CC2)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine?
The InChIKey is UTWMYFZBDIJDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2/c1-14-2-4-15(5-3-14)6-7-23-8-10-24(11-9-23)19-13-17(21)16(20)12-18(19)22/h12-15H,2-11H2,1H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine?
1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine has a molecular weight of 340.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)ethyl]-4-(2,4,5-trifluorophenyl)piperazine is sourced from PubChem (CID 143598821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).