3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol

C14H17N3O — CID 135432715

IUPAC3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/N1CCCCC1
InChIInChI=1S/C14H17N3O/c18-14-12(10-15-17-8-4-1-5-9-17)11-6-2-3-7-13(11)16-14/h2-3,6-7,10,16,18H,1,4-5,8-9H2/b15-10+
InChIKeyBVWAKSKHKFCYJZ-XNTDXEJSSA-N
MW243.31 g/mol
LogP2.69
Rot. Bonds2

About 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol

3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol (PubChem CID 135432715) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol
PubChem CID135432715
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/N1CCCCC1
InChIInChI=1S/C14H17N3O/c18-14-12(10-15-17-8-4-1-5-9-17)11-6-2-3-7-13(11)16-14/h2-3,6-7,10,16,18H,1,4-5,8-9H2/b15-10+
InChIKeyBVWAKSKHKFCYJZ-XNTDXEJSSA-N
XLogP2.69
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol (CID 135432715) is 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/N1CCCCC1.
What is the InChIKey of 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol?
The InChIKey is BVWAKSKHKFCYJZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-12(10-15-17-8-4-1-5-9-17)11-6-2-3-7-13(11)16-14/h2-3,6-7,10,16,18H,1,4-5,8-9H2/b15-10+.
What are the key properties of 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol?
3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-piperidin-1-yliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135432715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).