[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate

C16H29NO3 — CID 90437699

IUPAC[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(CN2CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)14(18)20-16(7-11-19-12-8-16)13-17-9-5-4-6-10-17/h4-13H2,1-3H3
InChIKeyOTRZAJSVRSHBNV-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.61
Rot. Bonds3

About [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate

[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate (PubChem CID 90437699) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate
PubChem CID90437699
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(CN2CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)14(18)20-16(7-11-19-12-8-16)13-17-9-5-4-6-10-17/h4-13H2,1-3H3
InChIKeyOTRZAJSVRSHBNV-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate (CID 90437699) is [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(CN2CCCCC2)CCOCC1.
What is the InChIKey of [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate?
The InChIKey is OTRZAJSVRSHBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)14(18)20-16(7-11-19-12-8-16)13-17-9-5-4-6-10-17/h4-13H2,1-3H3.
What are the key properties of [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate?
[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate has a molecular weight of 283.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 90437699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).