1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine

C18H28N2O3 — CID 171274739

IUPAC1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine
SMILESCOc1cc(OC)c([C@H](CC2CC2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C18H28N2O3/c1-21-14-11-16(22-2)18(17(12-14)23-3)15(10-13-4-5-13)20-8-6-19-7-9-20/h11-13,15,19H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyBCLFVTCWQXSNNS-HNNXBMFYSA-N
MW320.43 g/mol
LogP2.46
Rot. Bonds7

About 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine

1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine (PubChem CID 171274739) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine
PubChem CID171274739
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine
SMILESCOc1cc(OC)c([C@H](CC2CC2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C18H28N2O3/c1-21-14-11-16(22-2)18(17(12-14)23-3)15(10-13-4-5-13)20-8-6-19-7-9-20/h11-13,15,19H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyBCLFVTCWQXSNNS-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

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-hydroxy-4-methoxybenzonitrile;dihydrochloride
CID 171299145
(3S)-3-piperazin-1-yl-3-(2,4,6-trimethoxyphenyl)propanenitrile;dihydrochloride
CID 171305888
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972
1-[(1R)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 171168840
3,5-dimethoxy-2-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171278900
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171291535
2,3-dibromo-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296318
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
CID 171296585
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
CID 171272960
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine (CID 171274739) is 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine is COc1cc(OC)c([C@H](CC2CC2)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine?
The InChIKey is BCLFVTCWQXSNNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-21-14-11-16(22-2)18(17(12-14)23-3)15(10-13-4-5-13)20-8-6-19-7-9-20/h11-13,15,19H,4-10H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)ethyl]piperazine?
1-[(1S)-2-cyclopropyl-1-(2,4,6-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-(2,4,6-trimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171274739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).