1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine

C19H28N2O — CID 73345940

IUPAC1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine
SMILESCCOc1cccc(C2(N3CCNCC3)C3CC(C)CC32)c1
InChIInChI=1S/C19H28N2O/c1-3-22-16-6-4-5-15(13-16)19(21-9-7-20-8-10-21)17-11-14(2)12-18(17)19/h4-6,13-14,17-18,20H,3,7-12H2,1-2H3
InChIKeyMJPGIDDVWJVRLS-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.86
Rot. Bonds4

About 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine

1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine (PubChem CID 73345940) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine.

Molecular Properties

Compound Name1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine
PubChem CID73345940
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine
SMILESCCOc1cccc(C2(N3CCNCC3)C3CC(C)CC32)c1
InChIInChI=1S/C19H28N2O/c1-3-22-16-6-4-5-15(13-16)19(21-9-7-20-8-10-21)17-11-14(2)12-18(17)19/h4-6,13-14,17-18,20H,3,7-12H2,1-2H3
InChIKeyMJPGIDDVWJVRLS-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyrimidine
CID 72715000
2-[4-[(1R,5S)-6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyrimidine
CID 71681087
1-(3-ethoxyphenyl)piperazine
CID 14519634
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
3-(3-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468134
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine?
The IUPAC name of 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine (CID 73345940) is 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine.
What is the SMILES notation for 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine?
The canonical SMILES for 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine is CCOc1cccc(C2(N3CCNCC3)C3CC(C)CC32)c1.
What is the InChIKey of 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine?
The InChIKey is MJPGIDDVWJVRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-22-16-6-4-5-15(13-16)19(21-9-7-20-8-10-21)17-11-14(2)12-18(17)19/h4-6,13-14,17-18,20H,3,7-12H2,1-2H3.
What are the key properties of 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine?
1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine has a molecular weight of 300.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazine is sourced from PubChem (CID 73345940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).