4-benzyl-1-ethylpiperazine-2-carbaldehyde

C14H20N2O — CID 174607288

IUPAC4-benzyl-1-ethylpiperazine-2-carbaldehyde
SMILESCCN1CCN(Cc2ccccc2)CC1C=O
InChIInChI=1S/C14H20N2O/c1-2-16-9-8-15(11-14(16)12-17)10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyNRCFGQZHLNQIMN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.39
Rot. Bonds4

About 4-benzyl-1-ethylpiperazine-2-carbaldehyde

4-benzyl-1-ethylpiperazine-2-carbaldehyde (PubChem CID 174607288) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-benzyl-1-ethylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name4-benzyl-1-ethylpiperazine-2-carbaldehyde
PubChem CID174607288
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-benzyl-1-ethylpiperazine-2-carbaldehyde
SMILESCCN1CCN(Cc2ccccc2)CC1C=O
InChIInChI=1S/C14H20N2O/c1-2-16-9-8-15(11-14(16)12-17)10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyNRCFGQZHLNQIMN-UHFFFAOYSA-N
XLogP1.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-benzyl-1-ethylpiperazine-2-carbaldehyde 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

(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
4-[(4-amino-2-pyridinyl)methyl]-1-ethylpiperazine-2-carbaldehyde
CID 174610895
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(3R,4S)-1-benzyl-3-methylpiperidine-4-carbaldehyde
CID 87248357
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
1-benzylazepane-3-carbaldehyde
CID 83910081
(3S)-1-benzylpyrrolidine-3-carbaldehyde;ethyl formate
CID 142014962

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-ethylpiperazine-2-carbaldehyde?
The IUPAC name of 4-benzyl-1-ethylpiperazine-2-carbaldehyde (CID 174607288) is 4-benzyl-1-ethylpiperazine-2-carbaldehyde.
What is the SMILES notation for 4-benzyl-1-ethylpiperazine-2-carbaldehyde?
The canonical SMILES for 4-benzyl-1-ethylpiperazine-2-carbaldehyde is CCN1CCN(Cc2ccccc2)CC1C=O.
What is the InChIKey of 4-benzyl-1-ethylpiperazine-2-carbaldehyde?
The InChIKey is NRCFGQZHLNQIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16-9-8-15(11-14(16)12-17)10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of 4-benzyl-1-ethylpiperazine-2-carbaldehyde?
4-benzyl-1-ethylpiperazine-2-carbaldehyde has a molecular weight of 232.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-ethylpiperazine-2-carbaldehyde is sourced from PubChem (CID 174607288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).