1-(2-butoxyethyl)piperidine-4-carbonitrile

C12H22N2O — CID 48966213

IUPAC1-(2-butoxyethyl)piperidine-4-carbonitrile
SMILESCCCCOCCN1CCC(C#N)CC1
InChIInChI=1S/C12H22N2O/c1-2-3-9-15-10-8-14-6-4-12(11-13)5-7-14/h12H,2-10H2,1H3
InChIKeyFYTAMZHKEZRAGD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.04
Rot. Bonds6

About 1-(2-butoxyethyl)piperidine-4-carbonitrile

1-(2-butoxyethyl)piperidine-4-carbonitrile (PubChem CID 48966213) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2-butoxyethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-butoxyethyl)piperidine-4-carbonitrile
PubChem CID48966213
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(2-butoxyethyl)piperidine-4-carbonitrile
SMILESCCCCOCCN1CCC(C#N)CC1
InChIInChI=1S/C12H22N2O/c1-2-3-9-15-10-8-14-6-4-12(11-13)5-7-14/h12H,2-10H2,1H3
InChIKeyFYTAMZHKEZRAGD-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-butoxyethyl)piperidine-4-carbonitrile 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 1-(2-butoxyethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-butoxyethyl)piperidine-4-carbonitrile (CID 48966213) is 1-(2-butoxyethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-butoxyethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-butoxyethyl)piperidine-4-carbonitrile is CCCCOCCN1CCC(C#N)CC1.
What is the InChIKey of 1-(2-butoxyethyl)piperidine-4-carbonitrile?
The InChIKey is FYTAMZHKEZRAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-9-15-10-8-14-6-4-12(11-13)5-7-14/h12H,2-10H2,1H3.
What are the key properties of 1-(2-butoxyethyl)piperidine-4-carbonitrile?
1-(2-butoxyethyl)piperidine-4-carbonitrile has a molecular weight of 210.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 48966213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).