1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone

C13H24N2O2 — CID 60714885

IUPAC1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C13H24N2O2/c1-10(16)15-8-6-11(7-9-15)14-12-4-2-3-5-13(12)17/h11-14,17H,2-9H2,1H3
InChIKeyRJAZOLHILXGCHC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.89
Rot. Bonds2

About 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone

1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone (PubChem CID 60714885) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone
PubChem CID60714885
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C13H24N2O2/c1-10(16)15-8-6-11(7-9-15)14-12-4-2-3-5-13(12)17/h11-14,17H,2-9H2,1H3
InChIKeyRJAZOLHILXGCHC-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone (CID 60714885) is 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CCCCC2O)CC1.
What is the InChIKey of 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone?
The InChIKey is RJAZOLHILXGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(16)15-8-6-11(7-9-15)14-12-4-2-3-5-13(12)17/h11-14,17H,2-9H2,1H3.
What are the key properties of 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone?
1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 60714885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).