[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone

C16H28N2O3 — CID 110883607

IUPAC[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(C2CCCCC2O)CC1)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c19-15-4-2-1-3-14(15)17-7-5-13(6-8-17)16(20)18-9-11-21-12-10-18/h13-15,19H,1-12H2
InChIKeyZTQUWFKKWBOKHC-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.86
Rot. Bonds2

About [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 110883607) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID110883607
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(C2CCCCC2O)CC1)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c19-15-4-2-1-3-14(15)17-7-5-13(6-8-17)16(20)18-9-11-21-12-10-18/h13-15,19H,1-12H2
InChIKeyZTQUWFKKWBOKHC-UHFFFAOYSA-N
XLogP0.86
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 110883607) is [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(C2CCCCC2O)CC1)N1CCOCC1.
What is the InChIKey of [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZTQUWFKKWBOKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15-4-2-1-3-14(15)17-7-5-13(6-8-17)16(20)18-9-11-21-12-10-18/h13-15,19H,1-12H2.
What are the key properties of [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 296.41 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110883607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).