ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate

C17H32N2O2 — CID 63382681

IUPACethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(CC)CCC2CN)CC1
InChIInChI=1S/C17H32N2O2/c1-3-13-5-6-15(12-18)16(11-13)19-9-7-14(8-10-19)17(20)21-4-2/h13-16H,3-12,18H2,1-2H3
InChIKeyQZIRGRBBJKETMW-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.42
Rot. Bonds5

About ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate

ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate (PubChem CID 63382681) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate
PubChem CID63382681
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(CC)CCC2CN)CC1
InChIInChI=1S/C17H32N2O2/c1-3-13-5-6-15(12-18)16(11-13)19-9-7-14(8-10-19)17(20)21-4-2/h13-16H,3-12,18H2,1-2H3
InChIKeyQZIRGRBBJKETMW-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293406
methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate
CID 115533866
ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate
CID 95786112
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
2-(4-ethoxypiperidin-1-yl)-4-ethylcyclohexan-1-amine
CID 61220139
ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate
CID 44558678
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
[4-ethyl-2-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43293344

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate (CID 63382681) is ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CC(CC)CCC2CN)CC1.
What is the InChIKey of ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate?
The InChIKey is QZIRGRBBJKETMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-13-5-6-15(12-18)16(11-13)19-9-7-14(8-10-19)17(20)21-4-2/h13-16H,3-12,18H2,1-2H3.
What are the key properties of ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate?
ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(aminomethyl)-5-ethylcyclohexyl]piperidine-4-carboxylate is sourced from PubChem (CID 63382681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).