1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine

C15H28N2O2 — CID 55176251

IUPAC1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2COC3(CCCC3)O2)CC1
InChIInChI=1S/C15H28N2O2/c1-16-10-13-4-8-17(9-5-13)11-14-12-18-15(19-14)6-2-3-7-15/h13-14,16H,2-12H2,1H3
InChIKeyJFQAENWZNUHNBQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.60
Rot. Bonds4

About 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 55176251) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID55176251
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2COC3(CCCC3)O2)CC1
InChIInChI=1S/C15H28N2O2/c1-16-10-13-4-8-17(9-5-13)11-14-12-18-15(19-14)6-2-3-7-15/h13-14,16H,2-12H2,1H3
InChIKeyJFQAENWZNUHNBQ-UHFFFAOYSA-N
XLogP1.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine (CID 55176251) is 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(CC2COC3(CCCC3)O2)CC1.
What is the InChIKey of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is JFQAENWZNUHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-10-13-4-8-17(9-5-13)11-14-12-18-15(19-14)6-2-3-7-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 55176251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).