2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate

C16H29NO2 — CID 155075364

IUPAC2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate
SMILESCC(C)(OC(=O)CC1CCCCC1)C1CCNCC1
InChIInChI=1S/C16H29NO2/c1-16(2,14-8-10-17-11-9-14)19-15(18)12-13-6-4-3-5-7-13/h13-14,17H,3-12H2,1-2H3
InChIKeyDOZIPSSFSKYDJR-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.28
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate

2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate (PubChem CID 155075364) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate
PubChem CID155075364
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate
SMILESCC(C)(OC(=O)CC1CCCCC1)C1CCNCC1
InChIInChI=1S/C16H29NO2/c1-16(2,14-8-10-17-11-9-14)19-15(18)12-13-6-4-3-5-7-13/h13-14,17H,3-12H2,1-2H3
InChIKeyDOZIPSSFSKYDJR-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate (CID 155075364) is 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate is CC(C)(OC(=O)CC1CCCCC1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate?
The InChIKey is DOZIPSSFSKYDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,14-8-10-17-11-9-14)19-15(18)12-13-6-4-3-5-7-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate?
2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate has a molecular weight of 267.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-cyclohexylacetate is sourced from PubChem (CID 155075364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).