ethane;4-methylpiperidine;piperazine-1-carbaldehyde

C13H29N3O — CID 144962750

IUPACethane;4-methylpiperidine;piperazine-1-carbaldehyde
SMILESCC.CC1CCNCC1.O=CN1CCNCC1
InChIInChI=1S/C6H13N.C5H10N2O.C2H6/c1-6-2-4-7-5-3-6;8-5-7-3-1-6-2-4-7;1-2/h6-7H,2-5H2,1H3;5-6H,1-4H2;1-2H3
InChIKeyVDNOPUDSJWIWHG-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.08
Rot. Bonds1

About ethane;4-methylpiperidine;piperazine-1-carbaldehyde

ethane;4-methylpiperidine;piperazine-1-carbaldehyde (PubChem CID 144962750) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;4-methylpiperidine;piperazine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-methylpiperidine;piperazine-1-carbaldehyde
PubChem CID144962750
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Nameethane;4-methylpiperidine;piperazine-1-carbaldehyde
SMILESCC.CC1CCNCC1.O=CN1CCNCC1
InChIInChI=1S/C6H13N.C5H10N2O.C2H6/c1-6-2-4-7-5-3-6;8-5-7-3-1-6-2-4-7;1-2/h6-7H,2-5H2,1H3;5-6H,1-4H2;1-2H3
InChIKeyVDNOPUDSJWIWHG-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4-methylpiperidine;piperazine-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-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide
CID 44592952
1-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281027
3-Formylaminoquinuclidine
CID 20760141
4-(3-Piperidin-4-ylpropyl)piperidine-1-carbaldehyde
CID 123394431
N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide
CID 118297505
1-[4-Fluoro-4-(piperazin-1-ylmethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 170978877
4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate
CID 139056878
4-(Piperazin-1-ylmethyl)piperidine-1-carbonyl fluoride
CID 167474521
1-Butyl-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 56750138
(4-Ethylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 4527217

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpiperidine;piperazine-1-carbaldehyde?
The IUPAC name of ethane;4-methylpiperidine;piperazine-1-carbaldehyde (CID 144962750) is ethane;4-methylpiperidine;piperazine-1-carbaldehyde.
What is the SMILES notation for ethane;4-methylpiperidine;piperazine-1-carbaldehyde?
The canonical SMILES for ethane;4-methylpiperidine;piperazine-1-carbaldehyde is CC.CC1CCNCC1.O=CN1CCNCC1.
What is the InChIKey of ethane;4-methylpiperidine;piperazine-1-carbaldehyde?
The InChIKey is VDNOPUDSJWIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H10N2O.C2H6/c1-6-2-4-7-5-3-6;8-5-7-3-1-6-2-4-7;1-2/h6-7H,2-5H2,1H3;5-6H,1-4H2;1-2H3.
What are the key properties of ethane;4-methylpiperidine;piperazine-1-carbaldehyde?
ethane;4-methylpiperidine;piperazine-1-carbaldehyde has a molecular weight of 243.39 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpiperidine;piperazine-1-carbaldehyde is sourced from PubChem (CID 144962750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).