1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine

C17H33N3 — CID 70025743

IUPAC1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
SMILESCC=C(C(C)N1CCNCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H33N3/c1-5-16(15(2)19-13-9-18-10-14-19)17(3,4)20-11-7-6-8-12-20/h5,15,18H,6-14H2,1-4H3
InChIKeyUHAKFIBGVRPYPO-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.49
Rot. Bonds4

About 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine

1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine (PubChem CID 70025743) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
PubChem CID70025743
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
SMILESCC=C(C(C)N1CCNCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H33N3/c1-5-16(15(2)19-13-9-18-10-14-19)17(3,4)20-11-7-6-8-12-20/h5,15,18H,6-14H2,1-4H3
InChIKeyUHAKFIBGVRPYPO-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine (CID 70025743) is 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine is CC=C(C(C)N1CCNCC1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
The InChIKey is UHAKFIBGVRPYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-16(15(2)19-13-9-18-10-14-19)17(3,4)20-11-7-6-8-12-20/h5,15,18H,6-14H2,1-4H3.
What are the key properties of 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine has a molecular weight of 279.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine is sourced from PubChem (CID 70025743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).