3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one

C17H32N2O2 — CID 171800170

IUPAC3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(COC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)17(20)12-19-10-4-15(5-11-19)13-21-16-6-8-18(3)9-7-16/h14-16H,4-13H2,1-3H3
InChIKeyHRVWOFXGUQFXMQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.03
Rot. Bonds6

About 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one

3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one (PubChem CID 171800170) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one
PubChem CID171800170
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(COC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)17(20)12-19-10-4-15(5-11-19)13-21-16-6-8-18(3)9-7-16/h14-16H,4-13H2,1-3H3
InChIKeyHRVWOFXGUQFXMQ-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one (CID 171800170) is 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one is CC(C)C(=O)CN1CCC(COC2CCN(C)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one?
The InChIKey is HRVWOFXGUQFXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)17(20)12-19-10-4-15(5-11-19)13-21-16-6-8-18(3)9-7-16/h14-16H,4-13H2,1-3H3.
What are the key properties of 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one?
3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one has a molecular weight of 296.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 171800170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).