2-(ethylideneamino)-1-piperidin-1-ylethanone

C9H16N2O — CID 156723725

IUPAC2-(ethylideneamino)-1-piperidin-1-ylethanone
SMILESC/C=N/CC(=O)N1CCCCC1
InChIInChI=1S/C9H16N2O/c1-2-10-8-9(12)11-6-4-3-5-7-11/h2H,3-8H2,1H3/b10-2+
InChIKeyMYQBGPXDMUXZCO-WTDSWWLTSA-N
MW168.24 g/mol
LogP1.09
Rot. Bonds2

About 2-(ethylideneamino)-1-piperidin-1-ylethanone

2-(ethylideneamino)-1-piperidin-1-ylethanone (PubChem CID 156723725) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(ethylideneamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(ethylideneamino)-1-piperidin-1-ylethanone
PubChem CID156723725
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(ethylideneamino)-1-piperidin-1-ylethanone
SMILESC/C=N/CC(=O)N1CCCCC1
InChIInChI=1S/C9H16N2O/c1-2-10-8-9(12)11-6-4-3-5-7-11/h2H,3-8H2,1H3/b10-2+
InChIKeyMYQBGPXDMUXZCO-WTDSWWLTSA-N
XLogP1.09
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111058324
1-(azepan-1-yl)propan-1-one
CID 3613534
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
CID 90877548
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563

Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(ethylideneamino)-1-piperidin-1-ylethanone (CID 156723725) is 2-(ethylideneamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(ethylideneamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(ethylideneamino)-1-piperidin-1-ylethanone is C/C=N/CC(=O)N1CCCCC1.
What is the InChIKey of 2-(ethylideneamino)-1-piperidin-1-ylethanone?
The InChIKey is MYQBGPXDMUXZCO-WTDSWWLTSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-10-8-9(12)11-6-4-3-5-7-11/h2H,3-8H2,1H3/b10-2+.
What are the key properties of 2-(ethylideneamino)-1-piperidin-1-ylethanone?
2-(ethylideneamino)-1-piperidin-1-ylethanone has a molecular weight of 168.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 156723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).