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

C14H26N4O — CID 22973033

IUPAC4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O/c15-13-14(16)3-7-17(8-4-14)5-1-2-6-18-9-11-19-12-10-18/h1-12,16H2
InChIKeyVEZLNQFEJJTHMU-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.42
Rot. Bonds5

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

4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile (PubChem CID 22973033) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile
PubChem CID22973033
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26N4O/c15-13-14(16)3-7-17(8-4-14)5-1-2-6-18-9-11-19-12-10-18/h1-12,16H2
InChIKeyVEZLNQFEJJTHMU-UHFFFAOYSA-N
XLogP0.42
TPSA65.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile (CID 22973033) is 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile is N#CC1(N)CCN(CCCCN2CCOCC2)CC1.
What is the InChIKey of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile?
The InChIKey is VEZLNQFEJJTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-13-14(16)3-7-17(8-4-14)5-1-2-6-18-9-11-19-12-10-18/h1-12,16H2.
What are the key properties of 4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile?
4-amino-1-(4-morpholin-4-ylbutyl)piperidine-4-carbonitrile has a molecular weight of 266.39 g/mol, XLogP of 0.42, 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 is sourced from PubChem (CID 22973033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).