4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane

C16H32N4O — CID 142123271

IUPAC4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane
SMILESCC.N#CC1(N)CCN(CCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O.C2H6/c15-13-14(16)3-7-17(8-4-14)5-1-2-6-18-9-11-19-12-10-18;1-2/h1-12,16H2;1-2H3
InChIKeyXMBBBFZHGGXESR-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.44
Rot. Bonds5

About 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane

4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane (PubChem CID 142123271) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane.

Molecular Properties

Compound Name4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane
PubChem CID142123271
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane
SMILESCC.N#CC1(N)CCN(CCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O.C2H6/c15-13-14(16)3-7-17(8-4-14)5-1-2-6-18-9-11-19-12-10-18;1-2/h1-12,16H2;1-2H3
InChIKeyXMBBBFZHGGXESR-UHFFFAOYSA-N
XLogP1.44
TPSA65.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane?
The IUPAC name of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane (CID 142123271) is 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane.
What is the SMILES notation for 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane?
The canonical SMILES for 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane is CC.N#CC1(N)CCN(CCCCN2CCOCC2)CC1.
What is the InChIKey of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane?
The InChIKey is XMBBBFZHGGXESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.C2H6/c15-13-14(16)3-7-17(8-4-14)5-1-2-6-18-9-11-19-12-10-18;1-2/h1-12,16H2;1-2H3.
What are the key properties of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane?
4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane has a molecular weight of 296.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile;ethane is sourced from PubChem (CID 142123271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).