1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine

C24H34N2O2 — CID 171309655

IUPAC1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
SMILESCCCCC[C@@H](c1ccc(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C24H34N2O2/c1-3-4-6-11-22(26-16-14-25-15-17-26)21-12-13-23(24(18-21)27-2)28-19-20-9-7-5-8-10-20/h5,7-10,12-13,18,22,25H,3-4,6,11,14-17,19H2,1-2H3/t22-/m0/s1
InChIKeyCSYHIVLMZMQHBM-QFIPXVFZSA-N
MW382.55 g/mol
LogP4.80
Rot. Bonds10

About 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine

1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine (PubChem CID 171309655) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
PubChem CID171309655
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
SMILESCCCCC[C@@H](c1ccc(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C24H34N2O2/c1-3-4-6-11-22(26-16-14-25-15-17-26)21-12-13-23(24(18-21)27-2)28-19-20-9-7-5-8-10-20/h5,7-10,12-13,18,22,25H,3-4,6,11,14-17,19H2,1-2H3/t22-/m0/s1
InChIKeyCSYHIVLMZMQHBM-QFIPXVFZSA-N
XLogP4.80
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 5150431
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
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
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
CID 171311115
(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)-4,4,4-trifluorobutyl]piperazine
CID 171172152

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine (CID 171309655) is 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine is CCCCC[C@@H](c1ccc(OCc2ccccc2)c(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine?
The InChIKey is CSYHIVLMZMQHBM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-3-4-6-11-22(26-16-14-25-15-17-26)21-12-13-23(24(18-21)27-2)28-19-20-9-7-5-8-10-20/h5,7-10,12-13,18,22,25H,3-4,6,11,14-17,19H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine?
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine has a molecular weight of 382.55 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine is sourced from PubChem (CID 171309655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).