ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine

C21H45N3 — CID 166466682

IUPACethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
SMILESCC.CCN1CCC(CCN2CCN(CC(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C19H39N3.C2H6/c1-6-20-10-7-18(8-11-20)9-12-21-13-14-22(15-17(2)3)19(4,5)16-21;1-2/h17-18H,6-16H2,1-5H3;1-2H3
InChIKeyZTLYQIPIBFFYOH-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.19
Rot. Bonds6

About ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine

ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine (PubChem CID 166466682) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Nameethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
PubChem CID166466682
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Nameethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
SMILESCC.CCN1CCC(CCN2CCN(CC(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C19H39N3.C2H6/c1-6-20-10-7-18(8-11-20)9-12-21-13-14-22(15-17(2)3)19(4,5)16-21;1-2/h17-18H,6-16H2,1-5H3;1-2H3
InChIKeyZTLYQIPIBFFYOH-UHFFFAOYSA-N
XLogP4.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
The IUPAC name of ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine (CID 166466682) is ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine.
What is the SMILES notation for ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
The canonical SMILES for ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine is CC.CCN1CCC(CCN2CCN(CC(C)C)C(C)(C)C2)CC1.
What is the InChIKey of ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
The InChIKey is ZTLYQIPIBFFYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3.C2H6/c1-6-20-10-7-18(8-11-20)9-12-21-13-14-22(15-17(2)3)19(4,5)16-21;1-2/h17-18H,6-16H2,1-5H3;1-2H3.
What are the key properties of ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine has a molecular weight of 339.61 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 166466682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).