1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C12H19NO4 — CID 106837028

IUPAC1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC(O)C1CCN(C(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C12H19NO4/c1-8(14)9-2-6-13(7-3-9)10(15)12(4-5-12)11(16)17/h8-9,14H,2-7H2,1H3,(H,16,17)
InChIKeyPUEPRCNKOWHXJV-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.47
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 106837028) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID106837028
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC(O)C1CCN(C(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C12H19NO4/c1-8(14)9-2-6-13(7-3-9)10(15)12(4-5-12)11(16)17/h8-9,14H,2-7H2,1H3,(H,16,17)
InChIKeyPUEPRCNKOWHXJV-UHFFFAOYSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 106835942
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoacetic acid
CID 124680668
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097142
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
1-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 63161861
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 106837028) is 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is CC(O)C1CCN(C(=O)C2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is PUEPRCNKOWHXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(14)9-2-6-13(7-3-9)10(15)12(4-5-12)11(16)17/h8-9,14H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106837028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).