1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone

C14H23NO2 — CID 90697781

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
SMILESC=C1CCC(CC(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C14H23NO2/c1-11-2-4-12(5-3-11)10-14(17)15-8-6-13(16)7-9-15/h12-13,16H,1-10H2
InChIKeyTZNPZSASFIVVMZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone (PubChem CID 90697781) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
PubChem CID90697781
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
SMILESC=C1CCC(CC(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C14H23NO2/c1-11-2-4-12(5-3-11)10-14(17)15-8-6-13(16)7-9-15/h12-13,16H,1-10H2
InChIKeyTZNPZSASFIVVMZ-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 138029014
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 131918733
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]formamide
CID 142971251
2-cyclopropyl-1-(1,2,5-dithiazepan-5-yl)ethanone
CID 130723803
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 43416050
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-[1-[2-(4-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782565
(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558
3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one
CID 166279835
2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111781062

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone (CID 90697781) is 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone is C=C1CCC(CC(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone?
The InChIKey is TZNPZSASFIVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-2-4-12(5-3-11)10-14(17)15-8-6-13(16)7-9-15/h12-13,16H,1-10H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone is sourced from PubChem (CID 90697781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).