methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate

C14H28N2O2 — CID 116913623

IUPACmethyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate
SMILESCCC(C(=O)OC)C(C1CCN(C)CC1)N(C)C
InChIInChI=1S/C14H28N2O2/c1-6-12(14(17)18-5)13(15(2)3)11-7-9-16(4)10-8-11/h11-13H,6-10H2,1-5H3
InChIKeyRLZLVTSYFVSRIF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.46
Rot. Bonds5

About methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate

methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate (PubChem CID 116913623) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate
PubChem CID116913623
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate
SMILESCCC(C(=O)OC)C(C1CCN(C)CC1)N(C)C
InChIInChI=1S/C14H28N2O2/c1-6-12(14(17)18-5)13(15(2)3)11-7-9-16(4)10-8-11/h11-13H,6-10H2,1-5H3
InChIKeyRLZLVTSYFVSRIF-UHFFFAOYSA-N
XLogP1.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
The IUPAC name of methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate (CID 116913623) is methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate.
What is the SMILES notation for methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
The canonical SMILES for methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate is CCC(C(=O)OC)C(C1CCN(C)CC1)N(C)C.
What is the InChIKey of methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
The InChIKey is RLZLVTSYFVSRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-12(14(17)18-5)13(15(2)3)11-7-9-16(4)10-8-11/h11-13H,6-10H2,1-5H3.
What are the key properties of methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate is sourced from PubChem (CID 116913623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).