2-(methylamino)-1-piperidin-4-ylethanone

C8H16N2O — CID 82595867

IUPAC2-(methylamino)-1-piperidin-4-ylethanone
SMILESCNCC(=O)C1CCNCC1
InChIInChI=1S/C8H16N2O/c1-9-6-8(11)7-2-4-10-5-3-7/h7,9-10H,2-6H2,1H3
InChIKeyQNNUOKRVRNINKE-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.23
Rot. Bonds3

About 2-(methylamino)-1-piperidin-4-ylethanone

2-(methylamino)-1-piperidin-4-ylethanone (PubChem CID 82595867) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(methylamino)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(methylamino)-1-piperidin-4-ylethanone
PubChem CID82595867
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(methylamino)-1-piperidin-4-ylethanone
SMILESCNCC(=O)C1CCNCC1
InChIInChI=1S/C8H16N2O/c1-9-6-8(11)7-2-4-10-5-3-7/h7,9-10H,2-6H2,1H3
InChIKeyQNNUOKRVRNINKE-UHFFFAOYSA-N
XLogP-0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(methylamino)-1-piperidin-4-ylethanone (CID 82595867) is 2-(methylamino)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(methylamino)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(methylamino)-1-piperidin-4-ylethanone is CNCC(=O)C1CCNCC1.
What is the InChIKey of 2-(methylamino)-1-piperidin-4-ylethanone?
The InChIKey is QNNUOKRVRNINKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-6-8(11)7-2-4-10-5-3-7/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-(methylamino)-1-piperidin-4-ylethanone?
2-(methylamino)-1-piperidin-4-ylethanone has a molecular weight of 156.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-piperidin-4-ylethanone is sourced from PubChem (CID 82595867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).