1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one

C14H22N2O2 — CID 102636461

IUPAC1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)C1CCCCC1O
InChIInChI=1S/C14H22N2O2/c1-15(12-6-2-3-7-13(12)17)10-11-16-9-5-4-8-14(16)18/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3
InChIKeyBEHRRFYVTUTRCW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.08
Rot. Bonds4

About 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one

1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one (PubChem CID 102636461) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one
PubChem CID102636461
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one
SMILESCN(CCn1ccccc1=O)C1CCCCC1O
InChIInChI=1S/C14H22N2O2/c1-15(12-6-2-3-7-13(12)17)10-11-16-9-5-4-8-14(16)18/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3
InChIKeyBEHRRFYVTUTRCW-UHFFFAOYSA-N
XLogP1.08
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one (CID 102636461) is 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one is CN(CCn1ccccc1=O)C1CCCCC1O.
What is the InChIKey of 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one?
The InChIKey is BEHRRFYVTUTRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15(12-6-2-3-7-13(12)17)10-11-16-9-5-4-8-14(16)18/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one?
1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxycyclohexyl)-methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 102636461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).