1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine

C23H32N2O2 — CID 171308355

IUPAC1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C23H32N2O2/c1-3-4-10-21(25-15-13-24-14-16-25)20-11-12-22(23(17-20)26-2)27-18-19-8-6-5-7-9-19/h5-9,11-12,17,21,24H,3-4,10,13-16,18H2,1-2H3/t21-/m1/s1
InChIKeyDBJPAQNSFALAQP-OAQYLSRUSA-N
MW368.52 g/mol
LogP4.41
Rot. Bonds9

About 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine

1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine (PubChem CID 171308355) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
PubChem CID171308355
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C23H32N2O2/c1-3-4-10-21(25-15-13-24-14-16-25)20-11-12-22(23(17-20)26-2)27-18-19-8-6-5-7-9-19/h5-9,11-12,17,21,24H,3-4,10,13-16,18H2,1-2H3/t21-/m1/s1
InChIKeyDBJPAQNSFALAQP-OAQYLSRUSA-N
XLogP4.41
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 5150431
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189208
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
CID 171311115
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172152

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine (CID 171308355) is 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine is CCCC[C@H](c1ccc(OCc2ccccc2)c(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
The InChIKey is DBJPAQNSFALAQP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-4-10-21(25-15-13-24-14-16-25)20-11-12-22(23(17-20)26-2)27-18-19-8-6-5-7-9-19/h5-9,11-12,17,21,24H,3-4,10,13-16,18H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine has a molecular weight of 368.52 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171308355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).