1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine

C18H28N2O3 — CID 171273829

IUPAC1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@H](CC2CC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C18H28N2O3/c1-21-16-7-6-14(17(22-2)18(16)23-3)15(12-13-4-5-13)20-10-8-19-9-11-20/h6-7,13,15,19H,4-5,8-12H2,1-3H3/t15-/m0/s1
InChIKeyCIIWUOPZKWJIMH-HNNXBMFYSA-N
MW320.43 g/mol
LogP2.46
Rot. Bonds7

About 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine

1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine (PubChem CID 171273829) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
PubChem CID171273829
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@H](CC2CC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C18H28N2O3/c1-21-16-7-6-14(17(22-2)18(16)23-3)15(12-13-4-5-13)20-10-8-19-9-11-20/h6-7,13,15,19H,4-5,8-12H2,1-3H3/t15-/m0/s1
InChIKeyCIIWUOPZKWJIMH-HNNXBMFYSA-N
XLogP2.46
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831
1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178940
1-[(1R)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 171168840
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine
CID 171274739
1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171304304
2,3-dibromo-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296318

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine (CID 171273829) is 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine is COc1ccc([C@H](CC2CC2)N2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
The InChIKey is CIIWUOPZKWJIMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-21-16-7-6-14(17(22-2)18(16)23-3)15(12-13-4-5-13)20-10-8-19-9-11-20/h6-7,13,15,19H,4-5,8-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine?
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine has a molecular weight of 320.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171273829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).