1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine

C26H35N5O3 — CID 53363109

IUPAC1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1
InChIInChI=1S/C26H35N5O3/c1-4-5-12-31-19-22(27-28-31)20-34-25-11-10-21(17-26(25)33-3)18-29-13-15-30(16-14-29)23-8-6-7-9-24(23)32-2/h6-11,17,19H,4-5,12-16,18,20H2,1-3H3
InChIKeyDXCOQJVYSXJFAX-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.00
Rot. Bonds11

About 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 53363109) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID53363109
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1
InChIInChI=1S/C26H35N5O3/c1-4-5-12-31-19-22(27-28-31)20-34-25-11-10-21(17-26(25)33-3)18-29-13-15-30(16-14-29)23-8-6-7-9-24(23)32-2/h6-11,17,19H,4-5,12-16,18,20H2,1-3H3
InChIKeyDXCOQJVYSXJFAX-UHFFFAOYSA-N
XLogP4.00
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[3-Methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53361301
1-[[4-[3-(1-Butyltriazol-4-yl)propoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53361302
1-[[4-[4-(1-Butyltriazol-4-yl)butoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363110
1-[[4-[[1-(2-Ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363199
1-[[4-[3-[1-(2-Ethoxyethyl)triazol-4-yl]propoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363200
1-[[3-Methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]phenyl]methyl]-4-methylpiperazine
CID 53363201
1-Cyclohexyl-4-[[3-methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]phenyl]methyl]piperazine
CID 53363202
1-(2-Methoxyphenyl)-4-[[3-methoxy-4-[3-[1-[8-(4-propyltriazol-1-yl)octyl]triazol-4-yl]propoxy]phenyl]methyl]piperazine
CID 53364083
1-[[3-Methoxy-4-[[1-[8-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]octyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53364153
1-[[3-Methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53364154
1-[[3-Methoxy-4-[4-[1-[10-[4-[4-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]butyl]triazol-1-yl]decyl]triazol-4-yl]butoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53364155
1-[[3-Methoxy-4-[[1-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53364225

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine (CID 53363109) is 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine is CCCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1.
What is the InChIKey of 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is DXCOQJVYSXJFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-4-5-12-31-19-22(27-28-31)20-34-25-11-10-21(17-26(25)33-3)18-29-13-15-30(16-14-29)23-8-6-7-9-24(23)32-2/h6-11,17,19H,4-5,12-16,18,20H2,1-3H3.
What are the key properties of 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 465.60 g/mol, XLogP of 4.00, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1-butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 53363109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).