1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine

C16H33N3 — CID 165137418

IUPAC1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine
SMILESCCN1CCC(CN2CCN(CC)C(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-5-17-9-7-15(8-10-17)13-18-11-12-19(6-2)16(3,4)14-18/h15H,5-14H2,1-4H3
InChIKeyNLLKOGOAXLAJIA-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.13
Rot. Bonds4

About 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine

1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine (PubChem CID 165137418) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine
PubChem CID165137418
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine
SMILESCCN1CCC(CN2CCN(CC)C(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-5-17-9-7-15(8-10-17)13-18-11-12-19(6-2)16(3,4)14-18/h15H,5-14H2,1-4H3
InChIKeyNLLKOGOAXLAJIA-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466683
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466682
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949138
1,4-diethylpiperidine;ethane
CID 143709904
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine (CID 165137418) is 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine is CCN1CCC(CN2CCN(CC)C(C)(C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine?
The InChIKey is NLLKOGOAXLAJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-17-9-7-15(8-10-17)13-18-11-12-19(6-2)16(3,4)14-18/h15H,5-14H2,1-4H3.
What are the key properties of 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine?
1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 165137418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).