1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine

C17H33N3 — CID 70163276

IUPAC1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCNCC1)C(C)N1CCCCC1C
InChIInChI=1S/C17H33N3/c1-5-17(15(3)19-12-9-18-10-13-19)16(4)20-11-7-6-8-14(20)2/h5,14-16,18H,6-13H2,1-4H3/b17-5+
InChIKeyLQSHQIFZRYQOQW-YAXRCOADSA-N
MW279.47 g/mol
LogP2.49
Rot. Bonds4

About 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine

1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine (PubChem CID 70163276) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine
PubChem CID70163276
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCNCC1)C(C)N1CCCCC1C
InChIInChI=1S/C17H33N3/c1-5-17(15(3)19-12-9-18-10-13-19)16(4)20-11-7-6-8-14(20)2/h5,14-16,18H,6-13H2,1-4H3/b17-5+
InChIKeyLQSHQIFZRYQOQW-YAXRCOADSA-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-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine (CID 70163276) is 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine is C/C=C(\C(C)N1CCNCC1)C(C)N1CCCCC1C.
What is the InChIKey of 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine?
The InChIKey is LQSHQIFZRYQOQW-YAXRCOADSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-17(15(3)19-12-9-18-10-13-19)16(4)20-11-7-6-8-14(20)2/h5,14-16,18H,6-13H2,1-4H3/b17-5+.
What are the key properties of 1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine?
1-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]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-[(E)-3-[1-(2-methylpiperidin-1-yl)ethyl]pent-3-en-2-yl]piperazine is sourced from PubChem (CID 70163276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).