4-azido-1-benzylpiperidin-3-ol

C12H16N4O — CID 76766265

IUPAC4-azido-1-benzylpiperidin-3-ol
SMILES[N-]=[N+]=NC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C12H16N4O/c13-15-14-11-6-7-16(9-12(11)17)8-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2
InChIKeyWFDWVHDHIPNFDQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.93
Rot. Bonds3

About 4-azido-1-benzylpiperidin-3-ol

4-azido-1-benzylpiperidin-3-ol (PubChem CID 76766265) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-azido-1-benzylpiperidin-3-ol.

Molecular Properties

Compound Name4-azido-1-benzylpiperidin-3-ol
PubChem CID76766265
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-azido-1-benzylpiperidin-3-ol
SMILES[N-]=[N+]=NC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C12H16N4O/c13-15-14-11-6-7-16(9-12(11)17)8-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2
InChIKeyWFDWVHDHIPNFDQ-UHFFFAOYSA-N
XLogP1.93
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
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

4-azido-1-benzylpyrrolidin-3-ol
CID 14612532
(3R)-3-azido-1-benzylpiperidine
CID 130647613
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
4-azido-1-butylpiperidin-3-ol
CID 123520759
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(4R)-4-azido-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 173487038
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
[4-azido-1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 139788187
methyl (2S,3R)-3-azido-1-benzylpyrrolidine-2-carboxylate
CID 57385993

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-benzylpiperidin-3-ol?
The IUPAC name of 4-azido-1-benzylpiperidin-3-ol (CID 76766265) is 4-azido-1-benzylpiperidin-3-ol.
What is the SMILES notation for 4-azido-1-benzylpiperidin-3-ol?
The canonical SMILES for 4-azido-1-benzylpiperidin-3-ol is [N-]=[N+]=NC1CCN(Cc2ccccc2)CC1O.
What is the InChIKey of 4-azido-1-benzylpiperidin-3-ol?
The InChIKey is WFDWVHDHIPNFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-15-14-11-6-7-16(9-12(11)17)8-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2.
What are the key properties of 4-azido-1-benzylpiperidin-3-ol?
4-azido-1-benzylpiperidin-3-ol has a molecular weight of 232.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-benzylpiperidin-3-ol is sourced from PubChem (CID 76766265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).