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

C18H37N3 — CID 64933993

IUPAC5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCN1CCC(CN2CC(CC)(CC)NCC2C(C)C)C1
InChIInChI=1S/C18H37N3/c1-6-18(7-2)14-21(17(11-19-18)15(4)5)13-16-9-10-20(8-3)12-16/h15-17,19H,6-14H2,1-5H3
InChIKeyRHUPVNTXZBRMIE-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds6

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

5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64933993) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID64933993
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCN1CCC(CN2CC(CC)(CC)NCC2C(C)C)C1
InChIInChI=1S/C18H37N3/c1-6-18(7-2)14-21(17(11-19-18)15(4)5)13-16-9-10-20(8-3)12-16/h15-17,19H,6-14H2,1-5H3
InChIKeyRHUPVNTXZBRMIE-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64934370
5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415561
5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298471
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934748
5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine
CID 64947875
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
CID 64861206
1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937578
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine (CID 64933993) is 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine is CCN1CCC(CN2CC(CC)(CC)NCC2C(C)C)C1.
What is the InChIKey of 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is RHUPVNTXZBRMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-18(7-2)14-21(17(11-19-18)15(4)5)13-16-9-10-20(8-3)12-16/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine?
5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64933993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).