1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine

C18H30N2O3 — CID 171304304

IUPAC1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
SMILESCCC(C)[C@H](c1ccc(OC)c(OC)c1OC)N1CCNCC1
InChIInChI=1S/C18H30N2O3/c1-6-13(2)16(20-11-9-19-10-12-20)14-7-8-15(21-3)18(23-5)17(14)22-4/h7-8,13,16,19H,6,9-12H2,1-5H3/t13?,16-/m1/s1
InChIKeyPTHOEBIDVJZKSW-FQNRMIAFSA-N
MW322.45 g/mol
LogP2.70
Rot. Bonds7

About 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine

1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine (PubChem CID 171304304) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
PubChem CID171304304
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
SMILESCCC(C)[C@H](c1ccc(OC)c(OC)c1OC)N1CCNCC1
InChIInChI=1S/C18H30N2O3/c1-6-13(2)16(20-11-9-19-10-12-20)14-7-8-15(21-3)18(23-5)17(14)22-4/h7-8,13,16,19H,6,9-12H2,1-5H3/t13?,16-/m1/s1
InChIKeyPTHOEBIDVJZKSW-FQNRMIAFSA-N
XLogP2.70
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305112
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304943
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304751
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171304949
1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171304667
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305433

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine (CID 171304304) is 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine is CCC(C)[C@H](c1ccc(OC)c(OC)c1OC)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine?
The InChIKey is PTHOEBIDVJZKSW-FQNRMIAFSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-13(2)16(20-11-9-19-10-12-20)14-7-8-15(21-3)18(23-5)17(14)22-4/h7-8,13,16,19H,6,9-12H2,1-5H3/t13?,16-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine?
1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine has a molecular weight of 322.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine is sourced from PubChem (CID 171304304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).