4-azido-1-benzylpyrrolidin-3-ol

C11H14N4O — CID 14612532

IUPAC4-azido-1-benzylpyrrolidin-3-ol
SMILES[N-]=[N+]=NC1CN(Cc2ccccc2)CC1O
InChIInChI=1S/C11H14N4O/c12-14-13-10-7-15(8-11(10)16)6-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2
InChIKeyLTLHAGYPLWAFQN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.54
Rot. Bonds3

About 4-azido-1-benzylpyrrolidin-3-ol

4-azido-1-benzylpyrrolidin-3-ol (PubChem CID 14612532) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-azido-1-benzylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-azido-1-benzylpyrrolidin-3-ol
PubChem CID14612532
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-azido-1-benzylpyrrolidin-3-ol
SMILES[N-]=[N+]=NC1CN(Cc2ccccc2)CC1O
InChIInChI=1S/C11H14N4O/c12-14-13-10-7-15(8-11(10)16)6-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2
InChIKeyLTLHAGYPLWAFQN-UHFFFAOYSA-N
XLogP1.54
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.54
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-benzylpiperidin-3-ol
CID 76766265
(4R)-4-azido-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 173487038
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
N-[(3S,4R)-4-azido-1-benzylpyrrolidin-3-yl]-3-phenylprop-2-ynamide
CID 118630202
tert-butyl N-[(3R)-4-azido-1-benzylpyrrolidin-3-yl]carbamate
CID 146300594
[4-azido-1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 139788187
benzyl (3R,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 15965761
7-azido-5-benzyl-5-azaspiro[2.4]heptane
CID 139332390
(3R)-3-azido-1-benzylpiperidine
CID 130647613
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-benzylpyrrolidin-3-ol?
The IUPAC name of 4-azido-1-benzylpyrrolidin-3-ol (CID 14612532) is 4-azido-1-benzylpyrrolidin-3-ol.
What is the SMILES notation for 4-azido-1-benzylpyrrolidin-3-ol?
The canonical SMILES for 4-azido-1-benzylpyrrolidin-3-ol is [N-]=[N+]=NC1CN(Cc2ccccc2)CC1O.
What is the InChIKey of 4-azido-1-benzylpyrrolidin-3-ol?
The InChIKey is LTLHAGYPLWAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-14-13-10-7-15(8-11(10)16)6-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2.
What are the key properties of 4-azido-1-benzylpyrrolidin-3-ol?
4-azido-1-benzylpyrrolidin-3-ol has a molecular weight of 218.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-benzylpyrrolidin-3-ol is sourced from PubChem (CID 14612532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).