1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine

C18H30N2O3 — CID 171307378

IUPAC1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)c(OC)cc1OC)N1CCNCC1
InChIInChI=1S/C18H30N2O3/c1-5-6-7-15(20-10-8-19-9-11-20)14-12-17(22-3)18(23-4)13-16(14)21-2/h12-13,15,19H,5-11H2,1-4H3/t15-/m1/s1
InChIKeyQLWUCMDMJILQKG-OAHLLOKOSA-N
MW322.45 g/mol
LogP2.85
Rot. Bonds8

About 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine

1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine (PubChem CID 171307378) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
PubChem CID171307378
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)c(OC)cc1OC)N1CCNCC1
InChIInChI=1S/C18H30N2O3/c1-5-6-7-15(20-10-8-19-9-11-20)14-12-17(22-3)18(23-4)13-16(14)21-2/h12-13,15,19H,5-11H2,1-4H3/t15-/m1/s1
InChIKeyQLWUCMDMJILQKG-OAHLLOKOSA-N
XLogP2.85
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-piperazin-1-yl-3-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 171189008
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine
CID 171308285
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171273557
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)butyl]piperazine
CID 171283172
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309229
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine
CID 171308877
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
CID 171308476

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine (CID 171307378) is 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine is CCCC[C@H](c1cc(OC)c(OC)cc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine?
The InChIKey is QLWUCMDMJILQKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-6-7-15(20-10-8-19-9-11-20)14-12-17(22-3)18(23-4)13-16(14)21-2/h12-13,15,19H,5-11H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine?
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine has a molecular weight of 322.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171307378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).