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

C25H35N3O2 — CID 4999960

IUPAC1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1
InChIInChI=1S/C25H35N3O2/c1-29-24-9-8-22(25(18-24)30-2)20-27-14-16-28(17-15-27)23-10-12-26(13-11-23)19-21-6-4-3-5-7-21/h3-9,18,23H,10-17,19-20H2,1-2H3
InChIKeyGUYSXUKBLGTVOV-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.49
Rot. Bonds7

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

1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 4999960) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID4999960
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1
InChIInChI=1S/C25H35N3O2/c1-29-24-9-8-22(25(18-24)30-2)20-27-14-16-28(17-15-27)23-10-12-26(13-11-23)19-21-6-4-3-5-7-21/h3-9,18,23H,10-17,19-20H2,1-2H3
InChIKeyGUYSXUKBLGTVOV-UHFFFAOYSA-N
XLogP3.49
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
1-[(2-methoxyphenyl)methyl]-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepane;hydrochloride
CID 24736584
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
CID 156519943
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-(1-benzylpiperidin-4-yl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17366673
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (CID 4999960) is 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(OC)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is GUYSXUKBLGTVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-29-24-9-8-22(25(18-24)30-2)20-27-14-16-28(17-15-27)23-10-12-26(13-11-23)19-21-6-4-3-5-7-21/h3-9,18,23H,10-17,19-20H2,1-2H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 409.57 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4999960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).