7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C16H30N2O2 — CID 62200558

IUPAC7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC1CCN(C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-13-5-8-18(9-6-13)15-12-16(7-4-14(15)17)19-10-11-20-16/h13-15H,2-12,17H2,1H3
InChIKeyPHPNMDIOODJXRH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.12
Rot. Bonds3

About 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 62200558) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID62200558
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC1CCN(C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-2-3-13-5-8-18(9-6-13)15-12-16(7-4-14(15)17)19-10-11-20-16/h13-15H,2-12,17H2,1H3
InChIKeyPHPNMDIOODJXRH-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 62200558) is 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CCCC1CCN(C2CC3(CCC2N)OCCO3)CC1.
What is the InChIKey of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is PHPNMDIOODJXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-3-13-5-8-18(9-6-13)15-12-16(7-4-14(15)17)19-10-11-20-16/h13-15H,2-12,17H2,1H3.
What are the key properties of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 282.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 62200558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).