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

C16H30N2O2 — CID 28718139

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-2-9-18-10-5-15(6-11-18)17-14-3-7-16(8-4-14)19-12-13-20-16/h14-15,17H,2-13H2,1H3
InChIKeyKJMBCYMEGHAVRU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.14
Rot. Bonds4

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine (PubChem CID 28718139) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine
PubChem CID28718139
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-2-9-18-10-5-15(6-11-18)17-14-3-7-16(8-4-14)19-12-13-20-16/h14-15,17H,2-13H2,1H3
InChIKeyKJMBCYMEGHAVRU-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine (CID 28718139) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine is CCCN1CCC(NC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine?
The InChIKey is KJMBCYMEGHAVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-9-18-10-5-15(6-11-18)17-14-3-7-16(8-4-14)19-12-13-20-16/h14-15,17H,2-13H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine has a molecular weight of 282.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 28718139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).