1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C17H28N2O3 — CID 828691

IUPAC1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(C(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-13(2)19-8-6-18(7-9-19)12-14-10-15(20-3)17(22-5)16(11-14)21-4/h10-11,13H,6-9,12H2,1-5H3
InChIKeyVSSNDYMBRHYPKO-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.24
Rot. Bonds6

About 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 828691) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID828691
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(C(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-13(2)19-8-6-18(7-9-19)12-14-10-15(20-3)17(22-5)16(11-14)21-4/h10-11,13H,6-9,12H2,1-5H3
InChIKeyVSSNDYMBRHYPKO-UHFFFAOYSA-N
XLogP2.24
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
2-[1-(1-propan-2-ylpiperidin-4-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45178979
2-phenyl-2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 75385989
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 59242663
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
2-chloro-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 10759766
1-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 2843183
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioate;hydrochloride
CID 19983175
3-[4-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856511
1-methylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366145

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 828691) is 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCN(C(C)C)CC2)cc(OC)c1OC.
What is the InChIKey of 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is VSSNDYMBRHYPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(2)19-8-6-18(7-9-19)12-14-10-15(20-3)17(22-5)16(11-14)21-4/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 308.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 828691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).