1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one

C15H28N2O2 — CID 63979007

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESCOCC1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-12-14-6-10-17(11-7-14)15(18)3-2-13-4-8-16-9-5-13/h13-14,16H,2-12H2,1H3
InChIKeyYHNUVKUEONEXGQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one

1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one (PubChem CID 63979007) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
PubChem CID63979007
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESCOCC1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-12-14-6-10-17(11-7-14)15(18)3-2-13-4-8-16-9-5-13/h13-14,16H,2-12H2,1H3
InChIKeyYHNUVKUEONEXGQ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one (CID 63979007) is 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one is COCC1CCN(C(=O)CCC2CCNCC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The InChIKey is YHNUVKUEONEXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-12-14-6-10-17(11-7-14)15(18)3-2-13-4-8-16-9-5-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one?
1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 63979007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).