1-piperidin-4-ylethanone

C7H13NO — CID 2723764

IUPAC1-piperidin-4-ylethanone
SMILESCC(=O)C1CCNCC1
InChIInChI=1S/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-8H,2-5H2,1H3
InChIKeySTNLQJRBZHAGSO-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds1

About 1-piperidin-4-ylethanone

1-piperidin-4-ylethanone (PubChem CID 2723764) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-piperidin-4-ylethanone
PubChem CID2723764
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-piperidin-4-ylethanone
SMILESCC(=O)C1CCNCC1
InChIInChI=1S/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-8H,2-5H2,1H3
InChIKeySTNLQJRBZHAGSO-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
4-[(E)-but-2-en-2-yl]piperidine
CID 134286079
2-oxo-2-piperidin-4-ylacetyl fluoride
CID 145256764
piperidine-4-carboxamide;trihydrochloride
CID 141114926
4-methyl-1-piperidin-4-ylpent-4-en-1-one
CID 114477846
acetic acid;piperidin-4-amine
CID 172796704
piperidine-4-carboperoxoic acid
CID 19094880
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
2-piperidin-4-ylprop-2-enoic acid
CID 67374343
4-[(Z)-1-fluoroprop-1-en-2-yl]piperidine
CID 174359173

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylethanone?
The IUPAC name of 1-piperidin-4-ylethanone (CID 2723764) is 1-piperidin-4-ylethanone.
What is the SMILES notation for 1-piperidin-4-ylethanone?
The canonical SMILES for 1-piperidin-4-ylethanone is CC(=O)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylethanone?
The InChIKey is STNLQJRBZHAGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-8H,2-5H2,1H3.
What are the key properties of 1-piperidin-4-ylethanone?
1-piperidin-4-ylethanone has a molecular weight of 127.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylethanone is sourced from PubChem (CID 2723764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).