ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate

C11H22N2O2 — CID 63383254

IUPACethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(C)CN)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)10-5-4-6-13(8-10)9(2)7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyKIWHETSJSHCHPM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate

ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate (PubChem CID 63383254) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
PubChem CID63383254
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(C)CN)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)10-5-4-6-13(8-10)9(2)7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyKIWHETSJSHCHPM-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid
CID 83043141
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate (CID 63383254) is ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(C)CN)C1.
What is the InChIKey of ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate?
The InChIKey is KIWHETSJSHCHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)10-5-4-6-13(8-10)9(2)7-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate?
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 63383254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).