1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane

C15H32AlNO — CID 139905005

IUPAC1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane
SMILESCCC[Al](CCC)OC(C)C1CCN(CC)CC1
InChIInChI=1S/C9H18NO.2C3H7.Al/c1-3-10-6-4-9(5-7-10)8(2)11;2*1-3-2;/h8-9H,3-7H2,1-2H3;2*1,3H2,2H3;/q-1;;;+1
InChIKeyNSOIHDPJYRTNPZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.93
Rot. Bonds8

About 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane

1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane (PubChem CID 139905005) has the molecular formula C15H32AlNO and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane
PubChem CID139905005
Molecular FormulaC15H32AlNO
Molecular Weight269.41 g/mol
Exact Mass269.23
IUPAC Name1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane
SMILESCCC[Al](CCC)OC(C)C1CCN(CC)CC1
InChIInChI=1S/C9H18NO.2C3H7.Al/c1-3-10-6-4-9(5-7-10)8(2)11;2*1-3-2;/h8-9H,3-7H2,1-2H3;2*1,3H2,2H3;/q-1;;;+1
InChIKeyNSOIHDPJYRTNPZ-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-3-yl)ethoxy-dipropylalumane
CID 139905399
1-(1-ethylpyrrolidin-3-yl)ethoxy-dioctylalumane
CID 139905147
1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane
CID 139905093
1-(1-methylpyrrolidin-3-yl)ethoxy-dioctylalumane
CID 139905070
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
1-ethyl-4-(2-methylpentan-3-yl)piperidine
CID 170952036
1-ethyl-4-[1-(1-ethylpiperidin-4-yl)ethyl]piperazine
CID 167088968
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
1-ethyl-4-(1-piperidin-1-ylethyl)piperidine
CID 176562548
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane (CID 139905005) is 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane is CCC[Al](CCC)OC(C)C1CCN(CC)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane?
The InChIKey is NSOIHDPJYRTNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO.2C3H7.Al/c1-3-10-6-4-9(5-7-10)8(2)11;2*1-3-2;/h8-9H,3-7H2,1-2H3;2*1,3H2,2H3;/q-1;;;+1.
What are the key properties of 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane?
1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane has a molecular weight of 269.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)ethoxy-dipropylalumane is sourced from PubChem (CID 139905005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).