2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate

C16H32N4O2 — CID 58135835

IUPAC2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN(C)CCOC(=O)CN1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-17(2)12-13-22-16(21)14-19-8-10-20(11-9-19)15-4-6-18(3)7-5-15/h15H,4-14H2,1-3H3
InChIKeyOVGHCXDLECONOJ-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.20
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate

2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (PubChem CID 58135835) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
PubChem CID58135835
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN(C)CCOC(=O)CN1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O2/c1-17(2)12-13-22-16(21)14-19-8-10-20(11-9-19)15-4-6-18(3)7-5-15/h15H,4-14H2,1-3H3
InChIKeyOVGHCXDLECONOJ-UHFFFAOYSA-N
XLogP-0.20
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (CID 58135835) is 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is CN(C)CCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is OVGHCXDLECONOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-17(2)12-13-22-16(21)14-19-8-10-20(11-9-19)15-4-6-18(3)7-5-15/h15H,4-14H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate has a molecular weight of 312.46 g/mol, XLogP of -0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 58135835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).