1-propan-2-yl-4-propylpiperazine

C10H22N2 — CID 3086046

IUPAC1-propan-2-yl-4-propylpiperazine
SMILESCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2/c1-4-5-11-6-8-12(9-7-11)10(2)3/h10H,4-9H2,1-3H3
InChIKeyAFVCUKQSPSQCNU-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.42
Rot. Bonds3

About 1-propan-2-yl-4-propylpiperazine

1-propan-2-yl-4-propylpiperazine (PubChem CID 3086046) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-propan-2-yl-4-propylpiperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-propylpiperazine
PubChem CID3086046
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-propan-2-yl-4-propylpiperazine
SMILESCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2/c1-4-5-11-6-8-12(9-7-11)10(2)3/h10H,4-9H2,1-3H3
InChIKeyAFVCUKQSPSQCNU-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propylpiperazine?
The IUPAC name of 1-propan-2-yl-4-propylpiperazine (CID 3086046) is 1-propan-2-yl-4-propylpiperazine.
What is the SMILES notation for 1-propan-2-yl-4-propylpiperazine?
The canonical SMILES for 1-propan-2-yl-4-propylpiperazine is CCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-propylpiperazine?
The InChIKey is AFVCUKQSPSQCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-5-11-6-8-12(9-7-11)10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-propylpiperazine?
1-propan-2-yl-4-propylpiperazine has a molecular weight of 170.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propylpiperazine is sourced from PubChem (CID 3086046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).