3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol

C17H28N2O3 — CID 171309229

IUPAC3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
SMILESCCCC[C@@H](c1c(OC)cc(O)cc1OC)N1CCNCC1
InChIInChI=1S/C17H28N2O3/c1-4-5-6-14(19-9-7-18-8-10-19)17-15(21-2)11-13(20)12-16(17)22-3/h11-12,14,18,20H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyWWEXWDQNOVYUOS-AWEZNQCLSA-N
MW308.42 g/mol
LogP2.55
Rot. Bonds7

About 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol

3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol (PubChem CID 171309229) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
PubChem CID171309229
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
SMILESCCCC[C@@H](c1c(OC)cc(O)cc1OC)N1CCNCC1
InChIInChI=1S/C17H28N2O3/c1-4-5-6-14(19-9-7-18-8-10-19)17-15(21-2)11-13(20)12-16(17)22-3/h11-12,14,18,20H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyWWEXWDQNOVYUOS-AWEZNQCLSA-N
XLogP2.55
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171189535
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397
2-[(1R)-1-piperazin-1-ylpentyl]benzene-1,3,5-triol
CID 171308517
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171181788
3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171291518
3,5-dimethoxy-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171164214
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171307378
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702
1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine
CID 171173037

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
The IUPAC name of 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol (CID 171309229) is 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol.
What is the SMILES notation for 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
The canonical SMILES for 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol is CCCC[C@@H](c1c(OC)cc(O)cc1OC)N1CCNCC1.
What is the InChIKey of 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
The InChIKey is WWEXWDQNOVYUOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-5-6-14(19-9-7-18-8-10-19)17-15(21-2)11-13(20)12-16(17)22-3/h11-12,14,18,20H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol has a molecular weight of 308.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol is sourced from PubChem (CID 171309229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).