2-(1-piperidin-3-ylcyclopropyl)ethyl formate

C11H19NO2 — CID 174580733

IUPAC2-(1-piperidin-3-ylcyclopropyl)ethyl formate
SMILESO=COCCC1(C2CCCNC2)CC1
InChIInChI=1S/C11H19NO2/c13-9-14-7-5-11(3-4-11)10-2-1-6-12-8-10/h9-10,12H,1-8H2
InChIKeyXGMXZGUEPSUPGG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds5

About 2-(1-piperidin-3-ylcyclopropyl)ethyl formate

2-(1-piperidin-3-ylcyclopropyl)ethyl formate (PubChem CID 174580733) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-piperidin-3-ylcyclopropyl)ethyl formate.

Molecular Properties

Compound Name2-(1-piperidin-3-ylcyclopropyl)ethyl formate
PubChem CID174580733
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-piperidin-3-ylcyclopropyl)ethyl formate
SMILESO=COCCC1(C2CCCNC2)CC1
InChIInChI=1S/C11H19NO2/c13-9-14-7-5-11(3-4-11)10-2-1-6-12-8-10/h9-10,12H,1-8H2
InChIKeyXGMXZGUEPSUPGG-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate
CID 174624567
N,N-dimethyl-2-(1-pyrrolidin-3-ylcyclopentyl)ethanamine
CID 112716505
1-piperidin-3-ylcyclopropan-1-ol;hydrochloride
CID 127264219
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
3-[2-(methoxymethyl)pyrrolidin-2-yl]piperidine
CID 117271846
N-oxo-2-piperidin-3-ylacetamide
CID 163768787
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
CID 19833406
3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
CID 115031189
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide
CID 19833400
butyl formate;3-phenylpyrrolidine
CID 87716907
(3-methylpiperidin-4-yl)methyl formate
CID 146493499

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-3-ylcyclopropyl)ethyl formate?
The IUPAC name of 2-(1-piperidin-3-ylcyclopropyl)ethyl formate (CID 174580733) is 2-(1-piperidin-3-ylcyclopropyl)ethyl formate.
What is the SMILES notation for 2-(1-piperidin-3-ylcyclopropyl)ethyl formate?
The canonical SMILES for 2-(1-piperidin-3-ylcyclopropyl)ethyl formate is O=COCCC1(C2CCCNC2)CC1.
What is the InChIKey of 2-(1-piperidin-3-ylcyclopropyl)ethyl formate?
The InChIKey is XGMXZGUEPSUPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-9-14-7-5-11(3-4-11)10-2-1-6-12-8-10/h9-10,12H,1-8H2.
What are the key properties of 2-(1-piperidin-3-ylcyclopropyl)ethyl formate?
2-(1-piperidin-3-ylcyclopropyl)ethyl formate has a molecular weight of 197.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-3-ylcyclopropyl)ethyl formate is sourced from PubChem (CID 174580733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).