ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

C14H27N3O2 — CID 58135824

IUPACethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C2CCN(C)CC2)CCN1C
InChIInChI=1S/C14H27N3O2/c1-4-19-14(18)13-11-17(10-9-16(13)3)12-5-7-15(2)8-6-12/h12-13H,4-11H2,1-3H3
InChIKeyPNQGACDFZJFRRU-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.26
Rot. Bonds3

About ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (PubChem CID 58135824) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
PubChem CID58135824
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nameethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(C2CCN(C)CC2)CCN1C
InChIInChI=1S/C14H27N3O2/c1-4-19-14(18)13-11-17(10-9-16(13)3)12-5-7-15(2)8-6-12/h12-13H,4-11H2,1-3H3
InChIKeyPNQGACDFZJFRRU-UHFFFAOYSA-N
XLogP0.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (CID 58135824) is ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is CCOC(=O)C1CN(C2CCN(C)CC2)CCN1C.
What is the InChIKey of ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The InChIKey is PNQGACDFZJFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-19-14(18)13-11-17(10-9-16(13)3)12-5-7-15(2)8-6-12/h12-13H,4-11H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is sourced from PubChem (CID 58135824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).