8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane

C21H40N2 — CID 14836352

IUPAC8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane
SMILESCCC1(CC)CCC2(CCN(CCCN3CCCCC3)C2)CC1
InChIInChI=1S/C21H40N2/c1-3-20(4-2)9-11-21(12-10-20)13-18-23(19-21)17-8-16-22-14-6-5-7-15-22/h3-19H2,1-2H3
InChIKeyBUZXEYHIKYVGTQ-UHFFFAOYSA-N
MW320.57 g/mol
LogP4.93
Rot. Bonds6

About 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane

8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane (PubChem CID 14836352) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane
PubChem CID14836352
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane
SMILESCCC1(CC)CCC2(CCN(CCCN3CCCCC3)C2)CC1
InChIInChI=1S/C21H40N2/c1-3-20(4-2)9-11-21(12-10-20)13-18-23(19-21)17-8-16-22-14-6-5-7-15-22/h3-19H2,1-2H3
InChIKeyBUZXEYHIKYVGTQ-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane?
The IUPAC name of 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane (CID 14836352) is 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane is CCC1(CC)CCC2(CCN(CCCN3CCCCC3)C2)CC1.
What is the InChIKey of 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane?
The InChIKey is BUZXEYHIKYVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-3-20(4-2)9-11-21(12-10-20)13-18-23(19-21)17-8-16-22-14-6-5-7-15-22/h3-19H2,1-2H3.
What are the key properties of 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane?
8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane has a molecular weight of 320.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethyl-2-(3-piperidin-1-ylpropyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 14836352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).