5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine

C17H27N3 — CID 64878482

IUPAC5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1Cc1ccncc1
InChIInChI=1S/C17H27N3/c1-4-16(2)12-19-17(3,15-5-6-15)13-20(16)11-14-7-9-18-10-8-14/h7-10,15,19H,4-6,11-13H2,1-3H3
InChIKeyQYTRTHJSXYVRDZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.82
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine

5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64878482) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64878482
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1Cc1ccncc1
InChIInChI=1S/C17H27N3/c1-4-16(2)12-19-17(3,15-5-6-15)13-20(16)11-14-7-9-18-10-8-14/h7-10,15,19H,4-6,11-13H2,1-3H3
InChIKeyQYTRTHJSXYVRDZ-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine 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

1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 64875981
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64876360
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64878294
1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878272
5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64878267
1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 107898082
5-cyclopropyl-1-(3,3-dimethylbutyl)-2-ethyl-2,5-dimethylpiperazine
CID 64876359
1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849867
1-[(3,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849861
5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64876930
8-cyclopropyl-8-methyl-6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64860600
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64842460

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine (CID 64878482) is 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine is CCC1(C)CNC(C)(C2CC2)CN1Cc1ccncc1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is QYTRTHJSXYVRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-16(2)12-19-17(3,15-5-6-15)13-20(16)11-14-7-9-18-10-8-14/h7-10,15,19H,4-6,11-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64878482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).