1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine

C24H34N2O3 — CID 5150431

IUPAC1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
SMILESCCCCC(c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C24H34N2O3/c1-4-5-11-21(26-14-12-25-13-15-26)20-16-22(27-2)24(23(17-20)28-3)29-18-19-9-7-6-8-10-19/h6-10,16-17,21,25H,4-5,11-15,18H2,1-3H3
InChIKeyPJAYKUCXHWGDIW-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.42
Rot. Bonds10

About 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine

1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine (PubChem CID 5150431) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
PubChem CID5150431
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
SMILESCCCCC(c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCNCC1
InChIInChI=1S/C24H34N2O3/c1-4-5-11-21(26-14-12-25-13-15-26)20-16-22(27-2)24(23(17-20)28-3)29-18-19-9-7-6-8-10-19/h6-10,16-17,21,25H,4-5,11-15,18H2,1-3H3
InChIKeyPJAYKUCXHWGDIW-UHFFFAOYSA-N
XLogP4.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine
CID 171283020
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3314443
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171282997
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295579

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine (CID 5150431) is 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine is CCCCC(c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
The InChIKey is PJAYKUCXHWGDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-4-5-11-21(26-14-12-25-13-15-26)20-16-22(27-2)24(23(17-20)28-3)29-18-19-9-7-6-8-10-19/h6-10,16-17,21,25H,4-5,11-15,18H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine?
1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine has a molecular weight of 398.55 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 5150431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).