1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine

C18H27F3N2O — CID 171171154

IUPAC1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1cc(OC)cc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C18H27F3N2O/c1-4-5-13(2)17(23-8-6-22-7-9-23)14-10-15(18(19,20)21)12-16(11-14)24-3/h10-13,17,22H,4-9H2,1-3H3/t13?,17-/m1/s1
InChIKeyLNPKIILVVNQZTQ-LRHAYUFXSA-N
MW344.42 g/mol
LogP4.10
Rot. Bonds6

About 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine

1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine (PubChem CID 171171154) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
PubChem CID171171154
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1cc(OC)cc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C18H27F3N2O/c1-4-5-13(2)17(23-8-6-22-7-9-23)14-10-15(18(19,20)21)12-16(11-14)24-3/h10-13,17,22H,4-9H2,1-3H3/t13?,17-/m1/s1
InChIKeyLNPKIILVVNQZTQ-LRHAYUFXSA-N
XLogP4.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170523
1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171165775
1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171162908
1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171172
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305667
(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171180237
1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171304266
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171163196
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171166477
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171167614
1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171273682
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine (CID 171171154) is 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine is CCCC(C)[C@H](c1cc(OC)cc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
The InChIKey is LNPKIILVVNQZTQ-LRHAYUFXSA-N. The full InChI is InChI=1S/C18H27F3N2O/c1-4-5-13(2)17(23-8-6-22-7-9-23)14-10-15(18(19,20)21)12-16(11-14)24-3/h10-13,17,22H,4-9H2,1-3H3/t13?,17-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine has a molecular weight of 344.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine is sourced from PubChem (CID 171171154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).