1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride

C18H28ClFN2 — CID 171169463

IUPAC1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl
InChIInChI=1S/C18H27FN2.ClH/c1-14-7-8-17(19)16(13-14)18(15-5-3-2-4-6-15)21-11-9-20-10-12-21;/h7-8,13,15,18,20H,2-6,9-12H2,1H3;1H/t18-;/m1./s1
InChIKeyLKRNJKHXJOPYKS-GMUIIQOCSA-N
MW326.89 g/mol
LogP4.08
Rot. Bonds3

About 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride

1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride (PubChem CID 171169463) has the molecular formula C18H28ClFN2 and a molecular weight of 326.89 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
PubChem CID171169463
Molecular FormulaC18H28ClFN2
Molecular Weight326.89 g/mol
Exact Mass326.19
IUPAC Name1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl
InChIInChI=1S/C18H27FN2.ClH/c1-14-7-8-17(19)16(13-14)18(15-5-3-2-4-6-15)21-11-9-20-10-12-21;/h7-8,13,15,18,20H,2-6,9-12H2,1H3;1H/t18-;/m1./s1
InChIKeyLKRNJKHXJOPYKS-GMUIIQOCSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
1-[(S)-cyclohexyl-(2-fluoro-5-iodophenyl)methyl]piperazine;dihydrochloride
CID 171284076
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
CID 95465787
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(S)-cyclobutyl-(2-fluoro-5-iodophenyl)methyl]piperazine;hydrochloride
CID 171181497
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-cyclohexyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164946
1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[(R)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296721

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride (CID 171169463) is 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride is Cc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl.
What is the InChIKey of 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride?
The InChIKey is LKRNJKHXJOPYKS-GMUIIQOCSA-N. The full InChI is InChI=1S/C18H27FN2.ClH/c1-14-7-8-17(19)16(13-14)18(15-5-3-2-4-6-15)21-11-9-20-10-12-21;/h7-8,13,15,18,20H,2-6,9-12H2,1H3;1H/t18-;/m1./s1.
What are the key properties of 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride?
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171169463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).