5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine

C17H33N3 — CID 64946186

IUPAC5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
SMILESCCC1CNC(C2CC2)CN1CC1CCN(C(C)C)C1
InChIInChI=1S/C17H33N3/c1-4-16-9-18-17(15-5-6-15)12-20(16)11-14-7-8-19(10-14)13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyBLMSOODKICCGGJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.18
Rot. Bonds5

About 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine

5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 64946186) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
PubChem CID64946186
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
SMILESCCC1CNC(C2CC2)CN1CC1CCN(C(C)C)C1
InChIInChI=1S/C17H33N3/c1-4-16-9-18-17(15-5-6-15)12-20(16)11-14-7-8-19(10-14)13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyBLMSOODKICCGGJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclopropyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64861065
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
CID 115327094
5-cyclohexyl-2-ethyl-1-(oxan-4-ylmethyl)piperazine
CID 64859995
5-cyclopropyl-2-ethyl-1-(3-methoxy-2-methylpropyl)piperazine
CID 64946387
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934748
5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488302
5-cyclohexyl-1-(2-cyclopentylethyl)-2-ethylpiperazine
CID 64935138
5-cyclopropyl-2-ethyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129860
1-(cyclobutylmethyl)-5-cyclohexyl-2-propylpiperazine
CID 65462078
1-(2-cyclopentyloxyethyl)-5-cyclopropyl-2-ethylpiperazine
CID 64940447
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine (CID 64946186) is 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine is CCC1CNC(C2CC2)CN1CC1CCN(C(C)C)C1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is BLMSOODKICCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-16-9-18-17(15-5-6-15)12-20(16)11-14-7-8-19(10-14)13(2)3/h13-18H,4-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 279.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 64946186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).