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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Related Compounds

4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466683
1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine
CID 165137418
1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885442
1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
1,2,2-trimethyl-4-(2-piperidin-4-ylethyl)piperazine
CID 55217347
2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol
CID 117020411
4-[4-(3-aminobutyl)-3,3-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminopentyl)-3,3-dimethylpiperazin-1-yl]pentan-2-amine
CID 162253807
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
1,4-diethylpiperidine;ethane
CID 143709904

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).