1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine

C16H26N2O2 — CID 764481

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc(CN2CCN(C(C)C)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-13(2)18-9-7-17(8-10-18)12-14-5-6-15(19-3)16(11-14)20-4/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyCASIZIKGYNFFOA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine

1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 764481) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
PubChem CID764481
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc(CN2CCN(C(C)C)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-13(2)18-9-7-17(8-10-18)12-14-5-6-15(19-3)16(11-14)20-4/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyCASIZIKGYNFFOA-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
(2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 28957254
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 56789971
1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 95626118
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742523
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65062599

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine (CID 764481) is 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine is COc1ccc(CN2CCN(C(C)C)CC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is CASIZIKGYNFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)18-9-7-17(8-10-18)12-14-5-6-15(19-3)16(11-14)20-4/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine?
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 278.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 764481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).