ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate

C12H24N2O3 — CID 2846592

IUPACethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)COC)CC1
InChIInChI=1S/C12H24N2O3/c1-4-17-12(15)14-7-5-11(6-8-14)13-10(2)9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyJSULWGMBORVTHV-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds5

About ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate

ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate (PubChem CID 2846592) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate
PubChem CID2846592
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)COC)CC1
InChIInChI=1S/C12H24N2O3/c1-4-17-12(15)14-7-5-11(6-8-14)13-10(2)9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyJSULWGMBORVTHV-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
3-(Piperidin-4-yl)-1,3-oxazolidin-2-one
CID 13060627
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
Butyl 4-aminopiperidine-1-carboxylate
CID 23025360
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 53523431
1,1-Dimethylethyl 4-(formylamino)-1-piperidinecarboxylate
CID 87225995
Ethyl 4-(carbamoylamino)piperidine-1-carboxylate
CID 17830258
tert-Butyl 4-(ethylamino)piperidine-1-carboxylate
CID 18374730

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate (CID 2846592) is ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)COC)CC1.
What is the InChIKey of ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is JSULWGMBORVTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-17-12(15)14-7-5-11(6-8-14)13-10(2)9-16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate?
ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methoxypropan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 2846592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).