N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H28N2O2 — CID 79899720

IUPACN-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCN(CC1CCNCC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H28N2O2/c1-17(11-13-2-6-16-7-3-13)14-4-8-19-15(10-14)5-9-18-12-15/h13-14,16H,2-12H2,1H3
InChIKeyRSKJEJPTQRYTDP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79899720) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79899720
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCN(CC1CCNCC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H28N2O2/c1-17(11-13-2-6-16-7-3-13)14-4-8-19-15(10-14)5-9-18-12-15/h13-14,16H,2-12H2,1H3
InChIKeyRSKJEJPTQRYTDP-UHFFFAOYSA-N
XLogP1.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894065
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
CID 79903094
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79901722
N-methyl-N-(piperidin-4-ylmethyl)azetidin-3-amine
CID 131110831
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923559
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898827
N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154919616
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-3-ylethanone
CID 116583410

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79899720) is N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine is CN(CC1CCNCC1)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is RSKJEJPTQRYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(11-13-2-6-16-7-3-13)14-4-8-19-15(10-14)5-9-18-12-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 268.40 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79899720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).