ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate

C14H29N3O3 — CID 103080886

IUPACethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCOCCN(C)C)CC1
InChIInChI=1S/C14H29N3O3/c1-4-20-14(18)17-8-5-13(6-9-17)15-7-11-19-12-10-16(2)3/h13,15H,4-12H2,1-3H3
InChIKeyHXKNILHNOFDYKD-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.78
Rot. Bonds8

About ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate

ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate (PubChem CID 103080886) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
PubChem CID103080886
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Nameethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCOCCN(C)C)CC1
InChIInChI=1S/C14H29N3O3/c1-4-20-14(18)17-8-5-13(6-9-17)15-7-11-19-12-10-16(2)3/h13,15H,4-12H2,1-3H3
InChIKeyHXKNILHNOFDYKD-UHFFFAOYSA-N
XLogP0.78
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
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
[4-(Boc-amino)-piperidin-1-yl]-acetic acid ethyl ester
CID 23565283
Tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 7062127
Ethyl 4-(carbamoylamino)piperidine-1-carboxylate
CID 17830258
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
3-(Piperidin-4-yl)-1,3-oxazolidin-2-one hydrochloride
CID 53255630

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate (CID 103080886) is ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCOCCN(C)C)CC1.
What is the InChIKey of ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate?
The InChIKey is HXKNILHNOFDYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-4-20-14(18)17-8-5-13(6-9-17)15-7-11-19-12-10-16(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103080886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).