(3R)-3-azido-1-benzylpiperidine

C12H16N4 — CID 130647613

IUPAC(3R)-3-azido-1-benzylpiperidine
SMILES[N-]=[N+]=N[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H16N4/c13-15-14-12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m1/s1
InChIKeyRAXJJIUAJWZAEP-GFCCVEGCSA-N
MW216.29 g/mol
LogP2.96
Rot. Bonds3

About (3R)-3-azido-1-benzylpiperidine

(3R)-3-azido-1-benzylpiperidine (PubChem CID 130647613) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (3R)-3-azido-1-benzylpiperidine.

Molecular Properties

Compound Name(3R)-3-azido-1-benzylpiperidine
PubChem CID130647613
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(3R)-3-azido-1-benzylpiperidine
SMILES[N-]=[N+]=N[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H16N4/c13-15-14-12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m1/s1
InChIKeyRAXJJIUAJWZAEP-GFCCVEGCSA-N
XLogP2.96
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.96
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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Related Compounds

4-azido-1-benzylpiperidin-3-ol
CID 76766265
1-benzyl-3-methylpiperidine
CID 2794856
CID 59694689
CID 59694689
4-azido-1-benzylpyrrolidin-3-ol
CID 14612532
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
7-azido-5-benzyl-5-azaspiro[2.4]heptane
CID 139332390
3-azido-1-[(3-methylphenyl)methyl]azetidine
CID 121200162
(3R)-1-benzylazepan-3-ol
CID 124585423

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azido-1-benzylpiperidine?
The IUPAC name of (3R)-3-azido-1-benzylpiperidine (CID 130647613) is (3R)-3-azido-1-benzylpiperidine.
What is the SMILES notation for (3R)-3-azido-1-benzylpiperidine?
The canonical SMILES for (3R)-3-azido-1-benzylpiperidine is [N-]=[N+]=N[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-3-azido-1-benzylpiperidine?
The InChIKey is RAXJJIUAJWZAEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N4/c13-15-14-12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m1/s1.
What are the key properties of (3R)-3-azido-1-benzylpiperidine?
(3R)-3-azido-1-benzylpiperidine has a molecular weight of 216.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azido-1-benzylpiperidine is sourced from PubChem (CID 130647613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).