N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine

C16H30N2O2 — CID 28717076

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18-9-5-15(6-10-18)17-14-3-7-16(8-4-14)19-11-12-20-16/h13-15,17H,3-12H2,1-2H3
InChIKeyCHHLTMLZEZCCSO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.13
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 28717076) 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-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID28717076
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18-9-5-15(6-10-18)17-14-3-7-16(8-4-14)19-11-12-20-16/h13-15,17H,3-12H2,1-2H3
InChIKeyCHHLTMLZEZCCSO-UHFFFAOYSA-N
XLogP2.13
TPSA33.73 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 ≤ 52.13
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-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine (CID 28717076) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is CHHLTMLZEZCCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)18-9-5-15(6-10-18)17-14-3-7-16(8-4-14)19-11-12-20-16/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 282.43 g/mol, XLogP of 2.13, 3 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-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 28717076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).