2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate

C17H34N4O2 — CID 118535040

IUPAC2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
SMILESCN(C)CCOC(=O)C1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-18(2)14-15-23-17(22)16-4-6-20(7-5-16)12-13-21-10-8-19(3)9-11-21/h16H,4-15H2,1-3H3
InChIKeySWCNZRHKOSRUJH-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.05
Rot. Bonds7

About 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate

2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate (PubChem CID 118535040) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
PubChem CID118535040
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
SMILESCN(C)CCOC(=O)C1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-18(2)14-15-23-17(22)16-4-6-20(7-5-16)12-13-21-10-8-19(3)9-11-21/h16H,4-15H2,1-3H3
InChIKeySWCNZRHKOSRUJH-UHFFFAOYSA-N
XLogP0.05
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate (CID 118535040) is 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate is CN(C)CCOC(=O)C1CCN(CCN2CCN(C)CC2)CC1.
What is the InChIKey of 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate?
The InChIKey is SWCNZRHKOSRUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-18(2)14-15-23-17(22)16-4-6-20(7-5-16)12-13-21-10-8-19(3)9-11-21/h16H,4-15H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate?
2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate has a molecular weight of 326.49 g/mol, XLogP of 0.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 118535040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).