1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane

C18H34N2 — CID 155217289

IUPAC1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane
SMILESC=C(N1CCCC(C)CC1)N1CCC(C)(CC)C(C)C1
InChIInChI=1S/C18H34N2/c1-6-18(5)10-13-20(14-16(18)3)17(4)19-11-7-8-15(2)9-12-19/h15-16H,4,6-14H2,1-3,5H3
InChIKeyBYHXTYRCVOLEOS-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.34
Rot. Bonds3

About 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane

1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane (PubChem CID 155217289) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane.

Molecular Properties

Compound Name1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane
PubChem CID155217289
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane
SMILESC=C(N1CCCC(C)CC1)N1CCC(C)(CC)C(C)C1
InChIInChI=1S/C18H34N2/c1-6-18(5)10-13-20(14-16(18)3)17(4)19-11-7-8-15(2)9-12-19/h15-16H,4,6-14H2,1-3,5H3
InChIKeyBYHXTYRCVOLEOS-UHFFFAOYSA-N
XLogP4.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane?
The IUPAC name of 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane (CID 155217289) is 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane.
What is the SMILES notation for 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane?
The canonical SMILES for 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane is C=C(N1CCCC(C)CC1)N1CCC(C)(CC)C(C)C1.
What is the InChIKey of 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane?
The InChIKey is BYHXTYRCVOLEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-6-18(5)10-13-20(14-16(18)3)17(4)19-11-7-8-15(2)9-12-19/h15-16H,4,6-14H2,1-3,5H3.
What are the key properties of 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane?
1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane has a molecular weight of 278.48 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethyl-3,4-dimethylpiperidin-1-yl)ethenyl]-4-methylazepane is sourced from PubChem (CID 155217289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).