ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate

C15H25NO3 — CID 44558678

IUPACethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCCCC2C=O)CC1
InChIInChI=1S/C15H25NO3/c1-2-19-15(18)12-7-9-16(10-8-12)14-6-4-3-5-13(14)11-17/h11-14H,2-10H2,1H3
InChIKeyBSHFKIRPIGOASZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.02
Rot. Bonds4

About ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate

ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate (PubChem CID 44558678) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate
PubChem CID44558678
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCCCC2C=O)CC1
InChIInChI=1S/C15H25NO3/c1-2-19-15(18)12-7-9-16(10-8-12)14-6-4-3-5-13(14)11-17/h11-14H,2-10H2,1H3
InChIKeyBSHFKIRPIGOASZ-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
ethyl 1-formyloxypiperidine-4-carboxylate
CID 175375218
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate
CID 141323872
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate
CID 95786112
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate (CID 44558678) is ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCCCC2C=O)CC1.
What is the InChIKey of ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate?
The InChIKey is BSHFKIRPIGOASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-19-15(18)12-7-9-16(10-8-12)14-6-4-3-5-13(14)11-17/h11-14H,2-10H2,1H3.
What are the key properties of ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate?
ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate is sourced from PubChem (CID 44558678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).