5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine

C17H33N3 — CID 64934748

IUPAC5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCN1CCC(CN2CC(C3CC3)NCC2C(C)C)C1
InChIInChI=1S/C17H33N3/c1-4-19-8-7-14(10-19)11-20-12-16(15-5-6-15)18-9-17(20)13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyNDESTCBSEFKPDJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.04
Rot. Bonds5

About 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine

5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64934748) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID64934748
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCN1CCC(CN2CC(C3CC3)NCC2C(C)C)C1
InChIInChI=1S/C17H33N3/c1-4-19-8-7-14(10-19)11-20-12-16(15-5-6-15)18-9-17(20)13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyNDESTCBSEFKPDJ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine (CID 64934748) is 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine is CCN1CCC(CN2CC(C3CC3)NCC2C(C)C)C1.
What is the InChIKey of 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is NDESTCBSEFKPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-19-8-7-14(10-19)11-20-12-16(15-5-6-15)18-9-17(20)13(2)3/h13-18H,4-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 279.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64934748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).