(4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone

C13H21NO2 — CID 91309164

IUPAC(4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C13H21NO2/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14/h11-12,15H,1-9H2
InChIKeyYTPFQUIRGGVSFY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone

(4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone (PubChem CID 91309164) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone
PubChem CID91309164
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C13H21NO2/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14/h11-12,15H,1-9H2
InChIKeyYTPFQUIRGGVSFY-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
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

Cyclohexyl-(4-hydroxypiperidin-1-yl)methanone
CID 28345200
1-(4-Hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
CID 90697781
(4-Methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558
(3-Methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 91189048
3-Cyclohexyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39959599
4-Cyclohexyl-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 43391795
2-Cyclohexyl-1-(4-hydroxypiperidin-1-yl)ethan-1-one
CID 43391809
1-(Cyclohex-3-ene-1-carbonyl)piperidin-4-ol
CID 43415981
2-(Cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 63565360
2-(Cyclohexen-1-yl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 72009046
(4-Hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 79005572
Cyclohexyl-[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methanone
CID 112283108

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone (CID 91309164) is (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone is C=C1CCC(C(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone?
The InChIKey is YTPFQUIRGGVSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14/h11-12,15H,1-9H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone?
(4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone is sourced from PubChem (CID 91309164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).