1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane

C20H33N — CID 144860347

IUPAC1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane
SMILESC=C(c1cc(C)ccc1C)N1CCCCC1CC.CCC
InChIInChI=1S/C17H25N.C3H8/c1-5-16-8-6-7-11-18(16)15(4)17-12-13(2)9-10-14(17)3;1-3-2/h9-10,12,16H,4-8,11H2,1-3H3;3H2,1-2H3
InChIKeyXRMPICURSOCQDS-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.95
Rot. Bonds3

About 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane

1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane (PubChem CID 144860347) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane
PubChem CID144860347
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane
SMILESC=C(c1cc(C)ccc1C)N1CCCCC1CC.CCC
InChIInChI=1S/C17H25N.C3H8/c1-5-16-8-6-7-11-18(16)15(4)17-12-13(2)9-10-14(17)3;1-3-2/h9-10,12,16H,4-8,11H2,1-3H3;3H2,1-2H3
InChIKeyXRMPICURSOCQDS-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine
CID 143999088
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 80658369
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 65311090
[2-(bromomethyl)pyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 80677690
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 90585577
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane (CID 144860347) is 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane is C=C(c1cc(C)ccc1C)N1CCCCC1CC.CCC.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane?
The InChIKey is XRMPICURSOCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.C3H8/c1-5-16-8-6-7-11-18(16)15(4)17-12-13(2)9-10-14(17)3;1-3-2/h9-10,12,16H,4-8,11H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane?
1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane has a molecular weight of 287.49 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethylpiperidine;propane is sourced from PubChem (CID 144860347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).