1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine

C16H22N4 — CID 86604857

IUPAC1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine
SMILES[N-]=[N+]=N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C16H22N4/c17-19-18-16-6-4-5-14-11-13(7-8-15(14)16)12-20-9-2-1-3-10-20/h7-8,11,16H,1-6,9-10,12H2/t16-/m1/s1
InChIKeyYRVCDSJXSWNYNS-MRXNPFEDSA-N
MW270.38 g/mol
LogP4.36
Rot. Bonds3

About 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine

1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine (PubChem CID 86604857) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine
PubChem CID86604857
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine
SMILES[N-]=[N+]=N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C16H22N4/c17-19-18-16-6-4-5-14-11-13(7-8-15(14)16)12-20-9-2-1-3-10-20/h7-8,11,16H,1-6,9-10,12H2/t16-/m1/s1
InChIKeyYRVCDSJXSWNYNS-MRXNPFEDSA-N
XLogP4.36
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine?
The IUPAC name of 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine (CID 86604857) is 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine is [N-]=[N+]=N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine?
The InChIKey is YRVCDSJXSWNYNS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4/c17-19-18-16-6-4-5-14-11-13(7-8-15(14)16)12-20-9-2-1-3-10-20/h7-8,11,16H,1-6,9-10,12H2/t16-/m1/s1.
What are the key properties of 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine?
1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine has a molecular weight of 270.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine is sourced from PubChem (CID 86604857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).