4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde

C12H23N3O — CID 138683529

IUPAC4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
SMILESCCN1CCN(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-13-7-9-15(10-8-13)12-3-5-14(11-16)6-4-12/h11-12H,2-10H2,1H3
InChIKeyMGXASNPNJTVAOF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.24
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde

4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde (PubChem CID 138683529) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
PubChem CID138683529
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
SMILESCCN1CCN(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-13-7-9-15(10-8-13)12-3-5-14(11-16)6-4-12/h11-12H,2-10H2,1H3
InChIKeyMGXASNPNJTVAOF-UHFFFAOYSA-N
XLogP0.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-ethylpiperazin-1-yl)piperidine-1-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

1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
CID 142506557
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane
CID 171641351
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134315
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944496
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
CID 742968
1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde (CID 138683529) is 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde is CCN1CCN(C2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde?
The InChIKey is MGXASNPNJTVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-13-7-9-15(10-8-13)12-3-5-14(11-16)6-4-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde?
4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde has a molecular weight of 225.34 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 138683529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).