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

C14H27N4O+ — CID 153037265

IUPAC4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCCCN2CC[OH+]CC2)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/p+1
InChIKeyVEZLNQFEJJTHMU-UHFFFAOYSA-O
MW267.40 g/mol
LogP-0.07
Rot. Bonds5

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

4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile (PubChem CID 153037265) has the molecular formula C14H27N4O+ and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile
PubChem CID153037265
Molecular FormulaC14H27N4O+
Molecular Weight267.40 g/mol
Exact Mass267.22
IUPAC Name4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile
SMILESN#CC1(N)CCN(CCCCN2CC[OH+]CC2)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/p+1
InChIKeyVEZLNQFEJJTHMU-UHFFFAOYSA-O
XLogP-0.07
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile (CID 153037265) is 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile is N#CC1(N)CCN(CCCCN2CC[OH+]CC2)CC1.
What is the InChIKey of 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile?
The InChIKey is VEZLNQFEJJTHMU-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile?
4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile has a molecular weight of 267.40 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-morpholin-1-ium-4-ylbutyl)piperidine-4-carbonitrile is sourced from PubChem (CID 153037265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).