1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine

C18H30N2O2 — CID 171296585

IUPAC1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
SMILESCOc1cc(C)cc(OC)c1[C@@H](CC(C)C)N1CCNCC1
InChIInChI=1S/C18H30N2O2/c1-13(2)10-15(20-8-6-19-7-9-20)18-16(21-4)11-14(3)12-17(18)22-5/h11-13,15,19H,6-10H2,1-5H3/t15-/m1/s1
InChIKeyZZXWREOEYJFTHH-OAHLLOKOSA-N
MW306.45 g/mol
LogP3.00
Rot. Bonds6

About 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine

1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine (PubChem CID 171296585) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
PubChem CID171296585
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
SMILESCOc1cc(C)cc(OC)c1[C@@H](CC(C)C)N1CCNCC1
InChIInChI=1S/C18H30N2O2/c1-13(2)10-15(20-8-6-19-7-9-20)18-16(21-4)11-14(3)12-17(18)22-5/h11-13,15,19H,6-10H2,1-5H3/t15-/m1/s1
InChIKeyZZXWREOEYJFTHH-OAHLLOKOSA-N
XLogP3.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287474
(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189343
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
1-[(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171283971
1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82498846
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
1-[(1S)-1-(2,6-difluoro-3-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171167759
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171181788
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397
3,5-dimethyl-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171285589
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine (CID 171296585) is 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine is COc1cc(C)cc(OC)c1[C@@H](CC(C)C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine?
The InChIKey is ZZXWREOEYJFTHH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13(2)10-15(20-8-6-19-7-9-20)18-16(21-4)11-14(3)12-17(18)22-5/h11-13,15,19H,6-10H2,1-5H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine?
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine has a molecular weight of 306.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine is sourced from PubChem (CID 171296585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).