4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile

C10H17N5 — CID 163251489

IUPAC4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(CCN=[N+]=[N-])CC1
InChIInChI=1S/C10H17N5/c1-2-15-7-4-10(9-11,5-8-15)3-6-13-14-12/h2-8H2,1H3
InChIKeyNNGDOKSIMRJEKH-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.31
Rot. Bonds4

About 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile

4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile (PubChem CID 163251489) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile
PubChem CID163251489
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(CCN=[N+]=[N-])CC1
InChIInChI=1S/C10H17N5/c1-2-15-7-4-10(9-11,5-8-15)3-6-13-14-12/h2-8H2,1H3
InChIKeyNNGDOKSIMRJEKH-UHFFFAOYSA-N
XLogP2.31
TPSA75.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-azidoethyl)-4-ethylpiperazine
CID 61396790
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
1-ethyl-4-methoxypiperidine-4-carbonitrile
CID 130519331
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine
CID 121203109
3-amino-1-ethylpyrrolidine-3-carbonitrile
CID 117012936
1-(2-azidoethylamino)cyclopropane-1-carbonitrile
CID 103439456
1-(2-azidoethyl)-1-methylcyclohexane
CID 150618634
3-(1-ethyl-4-hydroxyazepan-4-yl)oxane-3-carbonitrile
CID 103715853
4-(diethylamino)-1-ethylazepane-4-carbonitrile
CID 65077429

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile?
The IUPAC name of 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile (CID 163251489) is 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile is CCN1CCC(C#N)(CCN=[N+]=[N-])CC1.
What is the InChIKey of 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile?
The InChIKey is NNGDOKSIMRJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-15-7-4-10(9-11,5-8-15)3-6-13-14-12/h2-8H2,1H3.
What are the key properties of 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile?
4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethyl)-1-ethylpiperidine-4-carbonitrile is sourced from PubChem (CID 163251489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).