1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine

C16H33N3 — CID 58904687

IUPAC1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine
SMILESCC(C)N1CCN(CCC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)18-11-9-17(10-12-18)7-5-16-6-8-19(13-16)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKMOXNRCEPVJBDW-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.13
Rot. Bonds5

About 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine

1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine (PubChem CID 58904687) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine
PubChem CID58904687
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine
SMILESCC(C)N1CCN(CCC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)18-11-9-17(10-12-18)7-5-16-6-8-19(13-16)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKMOXNRCEPVJBDW-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine (CID 58904687) is 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine is CC(C)N1CCN(CCC2CCN(C(C)C)C2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine?
The InChIKey is KMOXNRCEPVJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)18-11-9-17(10-12-18)7-5-16-6-8-19(13-16)15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine?
1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine has a molecular weight of 267.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine is sourced from PubChem (CID 58904687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).