ethyl 1-(1-aminoethyl)piperidine-4-carboxylate

C10H20N2O2 — CID 142132349

IUPACethyl 1-(1-aminoethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)N)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-10(13)9-4-6-12(7-5-9)8(2)11/h8-9H,3-7,11H2,1-2H3
InChIKeyXDCZPEKHPZXMPK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.57
Rot. Bonds3

About ethyl 1-(1-aminoethyl)piperidine-4-carboxylate

ethyl 1-(1-aminoethyl)piperidine-4-carboxylate (PubChem CID 142132349) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 1-(1-aminoethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-aminoethyl)piperidine-4-carboxylate
PubChem CID142132349
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 1-(1-aminoethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)N)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-10(13)9-4-6-12(7-5-9)8(2)11/h8-9H,3-7,11H2,1-2H3
InChIKeyXDCZPEKHPZXMPK-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
CID 79414013
ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718783
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-aminoethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-aminoethyl)piperidine-4-carboxylate (CID 142132349) is ethyl 1-(1-aminoethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-aminoethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-aminoethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)N)CC1.
What is the InChIKey of ethyl 1-(1-aminoethyl)piperidine-4-carboxylate?
The InChIKey is XDCZPEKHPZXMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-14-10(13)9-4-6-12(7-5-9)8(2)11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of ethyl 1-(1-aminoethyl)piperidine-4-carboxylate?
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-aminoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 142132349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).