(3-methylidenecyclohexyl)-piperidin-1-ylmethanone

C13H21NO — CID 91189048

IUPAC(3-methylidenecyclohexyl)-piperidin-1-ylmethanone
SMILESC=C1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C13H21NO/c1-11-6-5-7-12(10-11)13(15)14-8-3-2-4-9-14/h12H,1-10H2
InChIKeyYAEDOGUHZUPVAP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds1

About (3-methylidenecyclohexyl)-piperidin-1-ylmethanone

(3-methylidenecyclohexyl)-piperidin-1-ylmethanone (PubChem CID 91189048) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3-methylidenecyclohexyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methylidenecyclohexyl)-piperidin-1-ylmethanone
PubChem CID91189048
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3-methylidenecyclohexyl)-piperidin-1-ylmethanone
SMILESC=C1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C13H21NO/c1-11-6-5-7-12(10-11)13(15)14-8-3-2-4-9-14/h12H,1-10H2
InChIKeyYAEDOGUHZUPVAP-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methylidenecyclohexyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methylidenecyclohexyl)-piperidin-1-ylmethanone (CID 91189048) is (3-methylidenecyclohexyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methylidenecyclohexyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methylidenecyclohexyl)-piperidin-1-ylmethanone is C=C1CCCC(C(=O)N2CCCCC2)C1.
What is the InChIKey of (3-methylidenecyclohexyl)-piperidin-1-ylmethanone?
The InChIKey is YAEDOGUHZUPVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-6-5-7-12(10-11)13(15)14-8-3-2-4-9-14/h12H,1-10H2.
What are the key properties of (3-methylidenecyclohexyl)-piperidin-1-ylmethanone?
(3-methylidenecyclohexyl)-piperidin-1-ylmethanone has a molecular weight of 207.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 91189048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).