1-piperidin-1-ium-4-ylethanone chloride

C7H14ClNO — CID 3021579

IUPAC1-piperidin-1-ium-4-ylethanone chloride
SMILESCC(=O)C1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C7H13NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H
InChIKeyBWWUETLSKAKGGM-UHFFFAOYSA-N
MW163.65 g/mol
LogP-3.45
Rot. Bonds1

About 1-piperidin-1-ium-4-ylethanone chloride

1-piperidin-1-ium-4-ylethanone chloride (PubChem CID 3021579) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1-piperidin-1-ium-4-ylethanone chloride.

Molecular Properties

Compound Name1-piperidin-1-ium-4-ylethanone chloride
PubChem CID3021579
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1-piperidin-1-ium-4-ylethanone chloride
SMILESCC(=O)C1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C7H13NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H
InChIKeyBWWUETLSKAKGGM-UHFFFAOYSA-N
XLogP-3.45
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 5-3.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ium-4-ylethanone chloride?
The IUPAC name of 1-piperidin-1-ium-4-ylethanone chloride (CID 3021579) is 1-piperidin-1-ium-4-ylethanone chloride.
What is the SMILES notation for 1-piperidin-1-ium-4-ylethanone chloride?
The canonical SMILES for 1-piperidin-1-ium-4-ylethanone chloride is CC(=O)C1CC[NH2+]CC1.[Cl-].
What is the InChIKey of 1-piperidin-1-ium-4-ylethanone chloride?
The InChIKey is BWWUETLSKAKGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H.
What are the key properties of 1-piperidin-1-ium-4-ylethanone chloride?
1-piperidin-1-ium-4-ylethanone chloride has a molecular weight of 163.65 g/mol, XLogP of -3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ium-4-ylethanone chloride is sourced from PubChem (CID 3021579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).