(4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone

C12H20N2O — CID 58902784

IUPAC(4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone
SMILESC=C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C12H20N2O/c1-10-5-8-14(9-6-10)12(15)11-4-2-3-7-13-11/h11,13H,1-9H2
InChIKeyBARPBKDPSNAITD-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds1

About (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone

(4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone (PubChem CID 58902784) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone
PubChem CID58902784
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone
SMILESC=C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C12H20N2O/c1-10-5-8-14(9-6-10)12(15)11-4-2-3-7-13-11/h11,13H,1-9H2
InChIKeyBARPBKDPSNAITD-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone (CID 58902784) is (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone is C=C1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is BARPBKDPSNAITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-5-8-14(9-6-10)12(15)11-4-2-3-7-13-11/h11,13H,1-9H2.
What are the key properties of (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone?
(4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 208.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenepiperidin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 58902784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).