bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride

C19H40Cl3N3O4 — CID 24842646

IUPACbis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride
SMILESCCN(CC)CCOC(=O)C1CCCC(C(=O)OCCN(CC)CC)N1.Cl.Cl.Cl
InChIInChI=1S/C19H37N3O4.3ClH/c1-5-21(6-2)12-14-25-18(23)16-10-9-11-17(20-16)19(24)26-15-13-22(7-3)8-4;;;/h16-17,20H,5-15H2,1-4H3;3*1H
InChIKeyBFBWFTHVZDWHCM-UHFFFAOYSA-N
MW480.91 g/mol
LogP2.53
Rot. Bonds12

About bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride

bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride (PubChem CID 24842646) has the molecular formula C19H40Cl3N3O4 and a molecular weight of 480.91 g/mol. Its IUPAC name is bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride.

Molecular Properties

Compound Namebis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride
PubChem CID24842646
Molecular FormulaC19H40Cl3N3O4
Molecular Weight480.91 g/mol
Exact Mass479.21
IUPAC Namebis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride
SMILESCCN(CC)CCOC(=O)C1CCCC(C(=O)OCCN(CC)CC)N1.Cl.Cl.Cl
InChIInChI=1S/C19H37N3O4.3ClH/c1-5-21(6-2)12-14-25-18(23)16-10-9-11-17(20-16)19(24)26-15-13-22(7-3)8-4;;;/h16-17,20H,5-15H2,1-4H3;3*1H
InChIKeyBFBWFTHVZDWHCM-UHFFFAOYSA-N
XLogP2.53
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride?
The IUPAC name of bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride (CID 24842646) is bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride.
What is the SMILES notation for bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride?
The canonical SMILES for bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride is CCN(CC)CCOC(=O)C1CCCC(C(=O)OCCN(CC)CC)N1.Cl.Cl.Cl.
What is the InChIKey of bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride?
The InChIKey is BFBWFTHVZDWHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O4.3ClH/c1-5-21(6-2)12-14-25-18(23)16-10-9-11-17(20-16)19(24)26-15-13-22(7-3)8-4;;;/h16-17,20H,5-15H2,1-4H3;3*1H.
What are the key properties of bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride?
bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride has a molecular weight of 480.91 g/mol, XLogP of 2.53, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(diethylamino)ethyl] piperidine-2,6-dicarboxylate;trihydrochloride is sourced from PubChem (CID 24842646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).