1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine

C17H24ClFN2 — CID 107888446

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine
SMILESFc1cc(CN2CCNCC2C2CCCCC2)ccc1Cl
InChIInChI=1S/C17H24ClFN2/c18-15-7-6-13(10-16(15)19)12-21-9-8-20-11-17(21)14-4-2-1-3-5-14/h6-7,10,14,17,20H,1-5,8-9,11-12H2
InChIKeyGGLCKQISKKXDJE-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.83
Rot. Bonds3

About 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine

1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine (PubChem CID 107888446) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine
PubChem CID107888446
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine
SMILESFc1cc(CN2CCNCC2C2CCCCC2)ccc1Cl
InChIInChI=1S/C17H24ClFN2/c18-15-7-6-13(10-16(15)19)12-21-9-8-20-11-17(21)14-4-2-1-3-5-14/h6-7,10,14,17,20H,1-5,8-9,11-12H2
InChIKeyGGLCKQISKKXDJE-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine
CID 103041760
2-cyclohexyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64845060
2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine
CID 64833163
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
1-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678143
1-[(4-chloro-3-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 107888732
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256226
2-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazine
CID 64833751
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-ethylpiperazine
CID 107888537
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 107888494
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64833733
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-fluorophenol
CID 107694123

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine (CID 107888446) is 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine is Fc1cc(CN2CCNCC2C2CCCCC2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine?
The InChIKey is GGLCKQISKKXDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c18-15-7-6-13(10-16(15)19)12-21-9-8-20-11-17(21)14-4-2-1-3-5-14/h6-7,10,14,17,20H,1-5,8-9,11-12H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine?
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine has a molecular weight of 310.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine is sourced from PubChem (CID 107888446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).