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

C17H27N3 — CID 64860346

IUPAC5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C2CC2)CN1Cc1ccncc1
InChIInChI=1S/C17H27N3/c1-3-17(4-2)13-19-16(15-5-6-15)12-20(17)11-14-7-9-18-10-8-14/h7-10,15-16,19H,3-6,11-13H2,1-2H3
InChIKeyWSCVQABQEZDBDP-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.82
Rot. Bonds5

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

5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64860346) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64860346
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C2CC2)CN1Cc1ccncc1
InChIInChI=1S/C17H27N3/c1-3-17(4-2)13-19-16(15-5-6-15)12-20(17)11-14-7-9-18-10-8-14/h7-10,15-16,19H,3-6,11-13H2,1-2H3
InChIKeyWSCVQABQEZDBDP-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-2,2-diethyl-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

5-cyclopropyl-2,2-diethyl-1-[(4-iodophenyl)methyl]piperazine
CID 65491369
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 64861306
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 114014146
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64859965
5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64843393
5-butan-2-yl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849616
1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 104812598
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
5-cyclopropyl-2,2-diethyl-1-propan-2-ylpiperazine
CID 64860922

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine (CID 64860346) is 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine is CCC1(CC)CNC(C2CC2)CN1Cc1ccncc1.
What is the InChIKey of 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is WSCVQABQEZDBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-17(4-2)13-19-16(15-5-6-15)12-20(17)11-14-7-9-18-10-8-14/h7-10,15-16,19H,3-6,11-13H2,1-2H3.
What are the key properties of 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine?
5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,2-diethyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64860346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).