1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine

C19H32N2O3 — CID 171310677

IUPAC1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
SMILESCOc1cc([C@@H](CCC(C)C)N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C19H32N2O3/c1-14(2)6-7-16(21-10-8-20-9-11-21)15-12-17(22-3)19(24-5)18(13-15)23-4/h12-14,16,20H,6-11H2,1-5H3/t16-/m1/s1
InChIKeyXODAKBRDDLYTOM-MRXNPFEDSA-N
MW336.48 g/mol
LogP3.09
Rot. Bonds8

About 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine

1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine (PubChem CID 171310677) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
PubChem CID171310677
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
SMILESCOc1cc([C@@H](CCC(C)C)N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C19H32N2O3/c1-14(2)6-7-16(21-10-8-20-9-11-21)15-12-17(22-3)19(24-5)18(13-15)23-4/h12-14,16,20H,6-11H2,1-5H3/t16-/m1/s1
InChIKeyXODAKBRDDLYTOM-MRXNPFEDSA-N
XLogP3.09
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310798
1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171286281
1-[(1S)-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171273628
1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171286282
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
CID 171310689
[2-methoxy-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenyl] acetate;dihydrochloride
CID 171310370
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
CID 171310667
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171275608

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine (CID 171310677) is 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine is COc1cc([C@@H](CCC(C)C)N2CCNCC2)cc(OC)c1OC.
What is the InChIKey of 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine?
The InChIKey is XODAKBRDDLYTOM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-14(2)6-7-16(21-10-8-20-9-11-21)15-12-17(22-3)19(24-5)18(13-15)23-4/h12-14,16,20H,6-11H2,1-5H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine?
1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine has a molecular weight of 336.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171310677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).