4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile

C15H20N6 — CID 106820593

IUPAC4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile
SMILESN#CC1(NCCCN=[N+]=[N-])CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N6/c16-13-15(18-9-4-10-19-20-17)7-11-21(12-8-15)14-5-2-1-3-6-14/h1-3,5-6,18H,4,7-12H2
InChIKeyVIWRFPBODJFOGW-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.84
Rot. Bonds6

About 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile

4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile (PubChem CID 106820593) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile
PubChem CID106820593
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile
SMILESN#CC1(NCCCN=[N+]=[N-])CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N6/c16-13-15(18-9-4-10-19-20-17)7-11-21(12-8-15)14-5-2-1-3-6-14/h1-3,5-6,18H,4,7-12H2
InChIKeyVIWRFPBODJFOGW-UHFFFAOYSA-N
XLogP2.84
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile?
The IUPAC name of 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile (CID 106820593) is 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile is N#CC1(NCCCN=[N+]=[N-])CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile?
The InChIKey is VIWRFPBODJFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c16-13-15(18-9-4-10-19-20-17)7-11-21(12-8-15)14-5-2-1-3-6-14/h1-3,5-6,18H,4,7-12H2.
What are the key properties of 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile?
4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidopropylamino)-1-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 106820593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).