1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one

C16H30N2O2 — CID 45183983

IUPAC1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one
SMILESCN(C)CC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C16H30N2O2/c1-17(2)13-16(20)10-6-11-18(15(16)19)12-9-14-7-4-3-5-8-14/h14,20H,3-13H2,1-2H3
InChIKeyYGACXRXSKXNXDQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.87
Rot. Bonds5

About 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one

1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one (PubChem CID 45183983) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one
PubChem CID45183983
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one
SMILESCN(C)CC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C16H30N2O2/c1-17(2)13-16(20)10-6-11-18(15(16)19)12-9-14-7-4-3-5-8-14/h14,20H,3-13H2,1-2H3
InChIKeyYGACXRXSKXNXDQ-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one (CID 45183983) is 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one is CN(C)CC1(O)CCCN(CCC2CCCCC2)C1=O.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is YGACXRXSKXNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-17(2)13-16(20)10-6-11-18(15(16)19)12-9-14-7-4-3-5-8-14/h14,20H,3-13H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one?
1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 282.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45183983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).