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

C22H36N2O3 — CID 162432629

IUPAC1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(CC3CCCCCC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H36N2O3/c1-25-20-11-10-19(21(26-2)22(20)27-3)17-24-14-12-23(13-15-24)16-18-8-6-4-5-7-9-18/h10-11,18H,4-9,12-17H2,1-3H3
InChIKeyHZJLJIZRXOMRPP-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.80
Rot. Bonds7

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

1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 162432629) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID162432629
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(CC3CCCCCC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H36N2O3/c1-25-20-11-10-19(21(26-2)22(20)27-3)17-24-14-12-23(13-15-24)16-18-8-6-4-5-7-9-18/h10-11,18H,4-9,12-17H2,1-3H3
InChIKeyHZJLJIZRXOMRPP-UHFFFAOYSA-N
XLogP3.80
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
(5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one
CID 67945812
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-(4-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148357
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 129372864
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 162432629) is 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(CC3CCCCCC3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is HZJLJIZRXOMRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-25-20-11-10-19(21(26-2)22(20)27-3)17-24-14-12-23(13-15-24)16-18-8-6-4-5-7-9-18/h10-11,18H,4-9,12-17H2,1-3H3.
What are the key properties of 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 376.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 162432629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).