ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine

C17H35N3 — CID 143020642

IUPACethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine
SMILESC=C(CCC)N1CCN(C2CCCN(C)C2)CC1.CC
InChIInChI=1S/C15H29N3.C2H6/c1-4-6-14(2)17-9-11-18(12-10-17)15-7-5-8-16(3)13-15;1-2/h15H,2,4-13H2,1,3H3;1-2H3
InChIKeyPDMADEOKNOTBCL-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.04
Rot. Bonds4

About ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine

ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine (PubChem CID 143020642) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine.

Molecular Properties

Compound Nameethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine
PubChem CID143020642
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Nameethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine
SMILESC=C(CCC)N1CCN(C2CCCN(C)C2)CC1.CC
InChIInChI=1S/C15H29N3.C2H6/c1-4-6-14(2)17-9-11-18(12-10-17)15-7-5-8-16(3)13-15;1-2/h15H,2,4-13H2,1,3H3;1-2H3
InChIKeyPDMADEOKNOTBCL-UHFFFAOYSA-N
XLogP3.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine?
The IUPAC name of ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine (CID 143020642) is ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine.
What is the SMILES notation for ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine?
The canonical SMILES for ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine is C=C(CCC)N1CCN(C2CCCN(C)C2)CC1.CC.
What is the InChIKey of ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine?
The InChIKey is PDMADEOKNOTBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.C2H6/c1-4-6-14(2)17-9-11-18(12-10-17)15-7-5-8-16(3)13-15;1-2/h15H,2,4-13H2,1,3H3;1-2H3.
What are the key properties of ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine?
ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine is sourced from PubChem (CID 143020642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).