1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C26H37N3O3 — CID 1148359

IUPAC1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1OC
InChIInChI=1S/C26H37N3O3/c1-30-24-10-9-22(25(31-2)26(24)32-3)20-28-15-17-29(18-16-28)23-11-13-27(14-12-23)19-21-7-5-4-6-8-21/h4-10,23H,11-20H2,1-3H3
InChIKeyONIGSJFBMMCFCS-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.49
Rot. Bonds8

About 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 1148359) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID1148359
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1OC
InChIInChI=1S/C26H37N3O3/c1-30-24-10-9-22(25(31-2)26(24)32-3)20-28-15-17-29(18-16-28)23-11-13-27(14-12-23)19-21-7-5-4-6-8-21/h4-10,23H,11-20H2,1-3H3
InChIKeyONIGSJFBMMCFCS-UHFFFAOYSA-N
XLogP3.49
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148357
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
1-(1-benzylpiperidin-4-yl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17366673
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 1148359) is 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is ONIGSJFBMMCFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-30-24-10-9-22(25(31-2)26(24)32-3)20-28-15-17-29(18-16-28)23-11-13-27(14-12-23)19-21-7-5-4-6-8-21/h4-10,23H,11-20H2,1-3H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 439.60 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1148359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).