1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine

C18H27FN2 — CID 3501087

IUPAC1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine
SMILESCC1CCCCC1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2/c1-15-6-2-5-9-18(15)21-12-10-20(11-13-21)14-16-7-3-4-8-17(16)19/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3
InChIKeyNZOCCSUBAZMUQL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.52
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine

1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine (PubChem CID 3501087) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine
PubChem CID3501087
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine
SMILESCC1CCCCC1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2/c1-15-6-2-5-9-18(15)21-12-10-20(11-13-21)14-16-7-3-4-8-17(16)19/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3
InChIKeyNZOCCSUBAZMUQL-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
1-(2-bicyclo[2.2.1]heptanyl)-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483737
1-[4-[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837858
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 138460182
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
CID 80674131
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 796434
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine (CID 3501087) is 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine is CC1CCCCC1N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The InChIKey is NZOCCSUBAZMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-15-6-2-5-9-18(15)21-12-10-20(11-13-21)14-16-7-3-4-8-17(16)19/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine has a molecular weight of 290.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine is sourced from PubChem (CID 3501087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).