ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine

C19H36N2 — CID 142372787

IUPACethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(C(=C)CN2CCC(C)CC2)CC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-14(2)17-7-11-19(12-8-17)16(4)13-18-9-5-15(3)6-10-18;1-2/h15,17H,1,4-13H2,2-3H3;1-2H3
InChIKeySUXLOKIHXWVALV-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.55
Rot. Bonds4

About ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine

ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine (PubChem CID 142372787) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine
PubChem CID142372787
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Nameethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(C(=C)CN2CCC(C)CC2)CC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-14(2)17-7-11-19(12-8-17)16(4)13-18-9-5-15(3)6-10-18;1-2/h15,17H,1,4-13H2,2-3H3;1-2H3
InChIKeySUXLOKIHXWVALV-UHFFFAOYSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine?
The IUPAC name of ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine (CID 142372787) is ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine is C=C(C)C1CCN(C(=C)CN2CCC(C)CC2)CC1.CC.
What is the InChIKey of ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine?
The InChIKey is SUXLOKIHXWVALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2.C2H6/c1-14(2)17-7-11-19(12-8-17)16(4)13-18-9-5-15(3)6-10-18;1-2/h15,17H,1,4-13H2,2-3H3;1-2H3.
What are the key properties of ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine?
ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine has a molecular weight of 292.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 142372787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).