[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine

C15H28N2O2 — CID 114961047

IUPAC[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(CC2COC3(CCCC3)O2)CC1CN
InChIInChI=1S/C15H28N2O2/c1-12-4-7-17(9-13(12)8-16)10-14-11-18-15(19-14)5-2-3-6-15/h12-14H,2-11,16H2,1H3
InChIKeyRGILKBKASNRIIU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.59
Rot. Bonds3

About [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine

[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961047) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114961047
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(CC2COC3(CCCC3)O2)CC1CN
InChIInChI=1S/C15H28N2O2/c1-12-4-7-17(9-13(12)8-16)10-14-11-18-15(19-14)5-2-3-6-15/h12-14H,2-11,16H2,1H3
InChIKeyRGILKBKASNRIIU-UHFFFAOYSA-N
XLogP1.59
TPSA47.72 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine (CID 114961047) is [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(CC2COC3(CCCC3)O2)CC1CN.
What is the InChIKey of [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is RGILKBKASNRIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-4-7-17(9-13(12)8-16)10-14-11-18-15(19-14)5-2-3-6-15/h12-14H,2-11,16H2,1H3.
What are the key properties of [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine?
[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 268.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).