methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate

C13H26N2O2 — CID 47039762

IUPACmethyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate
SMILESCCN(CC)CC1CCN(CC(=O)OC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14(5-2)10-12-6-8-15(9-7-12)11-13(16)17-3/h12H,4-11H2,1-3H3
InChIKeyCZNSMMHCHGBMCX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.21
Rot. Bonds6

About methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate

methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate (PubChem CID 47039762) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate
PubChem CID47039762
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate
SMILESCCN(CC)CC1CCN(CC(=O)OC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14(5-2)10-12-6-8-15(9-7-12)11-13(16)17-3/h12H,4-11H2,1-3H3
InChIKeyCZNSMMHCHGBMCX-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate (CID 47039762) is methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate is CCN(CC)CC1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate?
The InChIKey is CZNSMMHCHGBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14(5-2)10-12-6-8-15(9-7-12)11-13(16)17-3/h12H,4-11H2,1-3H3.
What are the key properties of methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate?
methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 47039762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).