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

C19H39N3 — CID 166466683

IUPAC4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
SMILESCCN1CCC(CCN2CCN(CC(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C19H39N3/c1-6-20-10-7-18(8-11-20)9-12-21-13-14-22(15-17(2)3)19(4,5)16-21/h17-18H,6-16H2,1-5H3
InChIKeyBWOYTLNTTLWAMR-UHFFFAOYSA-N
MW309.54 g/mol
LogP3.16
Rot. Bonds6

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

4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine (PubChem CID 166466683) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
PubChem CID166466683
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
SMILESCCN1CCC(CCN2CCN(CC(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C19H39N3/c1-6-20-10-7-18(8-11-20)9-12-21-13-14-22(15-17(2)3)19(4,5)16-21/h17-18H,6-16H2,1-5H3
InChIKeyBWOYTLNTTLWAMR-UHFFFAOYSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466682
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
1,2,2-trimethyl-4-(2-piperidin-4-ylethyl)piperazine
CID 55217347
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
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
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
The IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine (CID 166466683) is 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
The canonical SMILES for 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine is CCN1CCC(CCN2CCN(CC(C)C)C(C)(C)C2)CC1.
What is the InChIKey of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
The InChIKey is BWOYTLNTTLWAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3/c1-6-20-10-7-18(8-11-20)9-12-21-13-14-22(15-17(2)3)19(4,5)16-21/h17-18H,6-16H2,1-5H3.
What are the key properties of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine?
4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine has a molecular weight of 309.54 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 166466683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).