N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine

C17H32N2O — CID 107163672

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCN1CCC(C)(CNC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C17H32N2O/c1-16(8-10-19(2)11-9-16)14-18-15-5-12-20-17(13-15)6-3-4-7-17/h15,18H,3-14H2,1-2H3
InChIKeySLWWNMZVWUCAAL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 107163672) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID107163672
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCN1CCC(C)(CNC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C17H32N2O/c1-16(8-10-19(2)11-9-16)14-18-15-5-12-20-17(13-15)6-3-4-7-17/h15,18H,3-14H2,1-2H3
InChIKeySLWWNMZVWUCAAL-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107163812
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 106025437
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
N-[(4-methylmorpholin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903156
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine (CID 107163672) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine is CN1CCC(C)(CNC2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is SLWWNMZVWUCAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(8-10-19(2)11-9-16)14-18-15-5-12-20-17(13-15)6-3-4-7-17/h15,18H,3-14H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107163672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).