1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine

C16H26N2O — CID 171304320

IUPAC1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1cccc(OC)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-4-13(2)16(18-10-8-17-9-11-18)14-6-5-7-15(12-14)19-3/h5-7,12-13,16-17H,4,8-11H2,1-3H3/t13?,16-/m1/s1
InChIKeyIQNDRQVQFMBZTB-FQNRMIAFSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds5

About 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine

1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine (PubChem CID 171304320) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
PubChem CID171304320
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1cccc(OC)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-4-13(2)16(18-10-8-17-9-11-18)14-6-5-7-15(12-14)19-3/h5-7,12-13,16-17H,4,8-11H2,1-3H3/t13?,16-/m1/s1
InChIKeyIQNDRQVQFMBZTB-FQNRMIAFSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-methyl-1-(3-phenoxyphenyl)butyl]piperazine
CID 171305102
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
2,6-dimethoxy-4-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171305069
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305297
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304751
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379
3-methoxy-2-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305702

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine (CID 171304320) is 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine is CCC(C)[C@H](c1cccc(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine?
The InChIKey is IQNDRQVQFMBZTB-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13(2)16(18-10-8-17-9-11-18)14-6-5-7-15(12-14)19-3/h5-7,12-13,16-17H,4,8-11H2,1-3H3/t13?,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine?
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171304320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).