N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine

C13H17N5 — CID 3756690

IUPACN-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine
SMILESC(=NCn1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C13H17N5/c1-4-8-17(9-5-1)10-14-11-18-13-7-3-2-6-12(13)15-16-18/h2-3,6-7,10H,1,4-5,8-9,11H2
InChIKeyFHJFXJBEBHDBAY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.90
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine

N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine (PubChem CID 3756690) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine
PubChem CID3756690
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine
SMILESC(=NCn1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C13H17N5/c1-4-8-17(9-5-1)10-14-11-18-13-7-3-2-6-12(13)15-16-18/h2-3,6-7,10H,1,4-5,8-9,11H2
InChIKeyFHJFXJBEBHDBAY-UHFFFAOYSA-N
XLogP1.90
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
CID 73012311
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
(E)-N-(benzotriazol-1-ylmethyl)-1-(3,4-dimethoxyphenyl)methanimine
CID 51064344
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
1-(benzotriazol-1-ylmethylsulfinylmethyl)benzotriazole
CID 3765882
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622
[4-(benzotriazol-1-ylmethylamino)phenyl]-piperidin-1-ylmethanone
CID 12669213
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-[(E)-3-chloroprop-2-enyl]benzotriazole
CID 6037442
1-(benzotriazol-1-ylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 12964285
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 8975880

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine (CID 3756690) is N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine is C(=NCn1nnc2ccccc21)N1CCCCC1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine?
The InChIKey is FHJFXJBEBHDBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-8-17(9-5-1)10-14-11-18-13-7-3-2-6-12(13)15-16-18/h2-3,6-7,10H,1,4-5,8-9,11H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine?
N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine has a molecular weight of 243.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 3756690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).