1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid

C15H27NO4 — CID 146658373

IUPAC1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(CCCCCCCO)(C(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-13(18)16-10-8-15(9-11-16,14(19)20)7-5-3-2-4-6-12-17/h17H,2-12H2,1H3,(H,19,20)
InChIKeyWAGMUUFUXPJJGE-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.03
Rot. Bonds8

About 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid

1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid (PubChem CID 146658373) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid
PubChem CID146658373
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(CCCCCCCO)(C(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-13(18)16-10-8-15(9-11-16,14(19)20)7-5-3-2-4-6-12-17/h17H,2-12H2,1H3,(H,19,20)
InChIKeyWAGMUUFUXPJJGE-UHFFFAOYSA-N
XLogP2.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
4-(5-hydroxypentyl)piperidine-4-carboxylic acid
CID 79424853
4-(6-hydroxyhexyl)-1,1-dioxothiane-4-carboxylic acid
CID 146658372
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
4-tert-butyl-1-(5-hydroxypentyl)cyclohexane-1-carboxylic acid
CID 79425693
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639
1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 123601967

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid (CID 146658373) is 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid is CC(=O)N1CCC(CCCCCCCO)(C(=O)O)CC1.
What is the InChIKey of 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid?
The InChIKey is WAGMUUFUXPJJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-13(18)16-10-8-15(9-11-16,14(19)20)7-5-3-2-4-6-12-17/h17H,2-12H2,1H3,(H,19,20).
What are the key properties of 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid?
1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 146658373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).