(E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine

C14H16BrN3 — CID 135521578

IUPAC(E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine
SMILESBrc1ccc2[nH]cc(/C=N/N3CCCCC3)c2c1
InChIInChI=1S/C14H16BrN3/c15-12-4-5-14-13(8-12)11(9-16-14)10-17-18-6-2-1-3-7-18/h4-5,8-10,16H,1-3,6-7H2/b17-10+
InChIKeySPJKYQWYTRAVJI-LICLKQGHSA-N
MW306.21 g/mol
LogP3.75
Rot. Bonds2

About (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine

(E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine (PubChem CID 135521578) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine
PubChem CID135521578
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name(E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine
SMILESBrc1ccc2[nH]cc(/C=N/N3CCCCC3)c2c1
InChIInChI=1S/C14H16BrN3/c15-12-4-5-14-13(8-12)11(9-16-14)10-17-18-6-2-1-3-7-18/h4-5,8-10,16H,1-3,6-7H2/b17-10+
InChIKeySPJKYQWYTRAVJI-LICLKQGHSA-N
XLogP3.75
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
5-Bromoindole
CID 24905
Tryptamine hydrochloride
CID 67652
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine (CID 135521578) is (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine is Brc1ccc2[nH]cc(/C=N/N3CCCCC3)c2c1.
What is the InChIKey of (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
The InChIKey is SPJKYQWYTRAVJI-LICLKQGHSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-4-5-14-13(8-12)11(9-16-14)10-17-18-6-2-1-3-7-18/h4-5,8-10,16H,1-3,6-7H2/b17-10+.
What are the key properties of (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
(E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine has a molecular weight of 306.21 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-bromo-1H-indol-3-yl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 135521578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).