[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine

C16H30N2O3 — CID 115963785

IUPAC[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCOC3(CCOCC3)C2)C(CN)C1
InChIInChI=1S/C16H30N2O3/c1-19-15-2-6-18(14(10-15)12-17)13-3-7-21-16(11-13)4-8-20-9-5-16/h13-15H,2-12,17H2,1H3
InChIKeyUJOBPWCTFOLAKO-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.15
Rot. Bonds3

About [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine

[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 115963785) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID115963785
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCOC3(CCOCC3)C2)C(CN)C1
InChIInChI=1S/C16H30N2O3/c1-19-15-2-6-18(14(10-15)12-17)13-3-7-21-16(11-13)4-8-20-9-5-16/h13-15H,2-12,17H2,1H3
InChIKeyUJOBPWCTFOLAKO-UHFFFAOYSA-N
XLogP1.15
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
CID 103353008
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784497
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine
CID 115963117
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894333
[4-methoxy-1-(2-methylcyclopentyl)piperidin-2-yl]methanamine
CID 112622011
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
CID 79901478

Frequently Asked Questions

What is the IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine (CID 115963785) is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(C2CCOC3(CCOCC3)C2)C(CN)C1.
What is the InChIKey of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is UJOBPWCTFOLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-19-15-2-6-18(14(10-15)12-17)13-3-7-21-16(11-13)4-8-20-9-5-16/h13-15H,2-12,17H2,1H3.
What are the key properties of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine?
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 298.43 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 115963785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).