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

C18H30N2O3 — CID 171310995

IUPAC3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
SMILESCOc1cc(O)cc(OC)c1[C@@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C18H30N2O3/c1-13(2)5-6-15(20-9-7-19-8-10-20)18-16(22-3)11-14(21)12-17(18)23-4/h11-13,15,19,21H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyUVWCCAWJUXCITC-OAHLLOKOSA-N
MW322.45 g/mol
LogP2.79
Rot. Bonds7

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

3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol (PubChem CID 171310995) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
PubChem CID171310995
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
SMILESCOc1cc(O)cc(OC)c1[C@@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C18H30N2O3/c1-13(2)5-6-15(20-9-7-19-8-10-20)18-16(22-3)11-14(21)12-17(18)23-4/h11-13,15,19,21H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyUVWCCAWJUXCITC-OAHLLOKOSA-N
XLogP2.79
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171189535
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171181788
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309229
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
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
CID 171310689
1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171310677
(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189343
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
CID 171296585
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310798

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
The IUPAC name of 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol (CID 171310995) is 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol.
What is the SMILES notation for 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
The canonical SMILES for 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol is COc1cc(O)cc(OC)c1[C@@H](CCC(C)C)N1CCNCC1.
What is the InChIKey of 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
The InChIKey is UVWCCAWJUXCITC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13(2)5-6-15(20-9-7-19-8-10-20)18-16(22-3)11-14(21)12-17(18)23-4/h11-13,15,19,21H,5-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol?
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol has a molecular weight of 322.45 g/mol, XLogP of 2.79, 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-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol is sourced from PubChem (CID 171310995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).