2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine

C15H25N3 — CID 64831744

IUPAC2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1CNC(C(C)C)CN1Cc1cccnc1
InChIInChI=1S/C15H25N3/c1-4-14-9-17-15(12(2)3)11-18(14)10-13-6-5-7-16-8-13/h5-8,12,14-15,17H,4,9-11H2,1-3H3
InChIKeyLIOYAFYFFBNKNS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds4

About 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine

2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64831744) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64831744
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1CNC(C(C)C)CN1Cc1cccnc1
InChIInChI=1S/C15H25N3/c1-4-14-9-17-15(12(2)3)11-18(14)10-13-6-5-7-16-8-13/h5-8,12,14-15,17H,4,9-11H2,1-3H3
InChIKeyLIOYAFYFFBNKNS-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-propan-2-yl-1-(pyridin-3-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

2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 64938382
2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 114702053
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
CID 64831547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine (CID 64831744) is 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine is CCC1CNC(C(C)C)CN1Cc1cccnc1.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is LIOYAFYFFBNKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-14-9-17-15(12(2)3)11-18(14)10-13-6-5-7-16-8-13/h5-8,12,14-15,17H,4,9-11H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine?
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64831744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).