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

C17H28N2O2 — CID 171307438

IUPAC1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)ccc1OC)N1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-16(19-11-9-18-10-12-19)15-13-14(20-2)7-8-17(15)21-3/h7-8,13,16,18H,4-6,9-12H2,1-3H3/t16-/m1/s1
InChIKeyGPDQGMPRVXSSPQ-MRXNPFEDSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds7

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

1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine (PubChem CID 171307438) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
PubChem CID171307438
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)ccc1OC)N1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-16(19-11-9-18-10-12-19)15-13-14(20-2)7-8-17(15)21-3/h7-8,13,16,18H,4-6,9-12H2,1-3H3/t16-/m1/s1
InChIKeyGPDQGMPRVXSSPQ-MRXNPFEDSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171307378
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1R)-1-(2,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303391
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171274130
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-(2,5-dimethoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine (CID 171307438) is 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine is CCCC[C@H](c1cc(OC)ccc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine?
The InChIKey is GPDQGMPRVXSSPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-6-16(19-11-9-18-10-12-19)15-13-14(20-2)7-8-17(15)21-3/h7-8,13,16,18H,4-6,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine?
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171307438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).