ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate

C11H22N2O3 — CID 58035265

IUPACethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C)C)C(OC)C1
InChIInChI=1S/C11H22N2O3/c1-5-16-11(14)13-7-6-9(12(2)3)10(8-13)15-4/h9-10H,5-8H2,1-4H3
InChIKeyOEHGRZDQXRYZHP-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.79
Rot. Bonds3

About ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate

ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate (PubChem CID 58035265) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate
PubChem CID58035265
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C)C)C(OC)C1
InChIInChI=1S/C11H22N2O3/c1-5-16-11(14)13-7-6-9(12(2)3)10(8-13)15-4/h9-10H,5-8H2,1-4H3
InChIKeyOEHGRZDQXRYZHP-UHFFFAOYSA-N
XLogP0.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
CID 67333652
butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 137371260
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 95788654
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 95313235

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate (CID 58035265) is ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate is CCOC(=O)N1CCC(N(C)C)C(OC)C1.
What is the InChIKey of ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate?
The InChIKey is OEHGRZDQXRYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-16-11(14)13-7-6-9(12(2)3)10(8-13)15-4/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate?
ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 58035265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).