2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one

C16H29NO2 — CID 90437703

IUPAC2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1(CN2CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)14(18)16(7-11-19-12-8-16)13-17-9-5-4-6-10-17/h4-13H2,1-3H3
InChIKeyHGTHXAXXLFTFPB-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds3

About 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one

2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one (PubChem CID 90437703) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one
PubChem CID90437703
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1(CN2CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)14(18)16(7-11-19-12-8-16)13-17-9-5-4-6-10-17/h4-13H2,1-3H3
InChIKeyHGTHXAXXLFTFPB-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one (CID 90437703) is 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one is CC(C)(C)C(=O)C1(CN2CCCCC2)CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one?
The InChIKey is HGTHXAXXLFTFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2,3)14(18)16(7-11-19-12-8-16)13-17-9-5-4-6-10-17/h4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one?
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one has a molecular weight of 267.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one is sourced from PubChem (CID 90437703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).