5-bromo-1,2-dimethyl-3-piperidin-4-ylindole

C15H19BrN2 — CID 82278169

IUPAC5-bromo-1,2-dimethyl-3-piperidin-4-ylindole
SMILESCc1c(C2CCNCC2)c2cc(Br)ccc2n1C
InChIInChI=1S/C15H19BrN2/c1-10-15(11-5-7-17-8-6-11)13-9-12(16)3-4-14(13)18(10)2/h3-4,9,11,17H,5-8H2,1-2H3
InChIKeyOLTLVKIWFSMYRA-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.72
Rot. Bonds1

About 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole

5-bromo-1,2-dimethyl-3-piperidin-4-ylindole (PubChem CID 82278169) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole.

Molecular Properties

Compound Name5-bromo-1,2-dimethyl-3-piperidin-4-ylindole
PubChem CID82278169
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name5-bromo-1,2-dimethyl-3-piperidin-4-ylindole
SMILESCc1c(C2CCNCC2)c2cc(Br)ccc2n1C
InChIInChI=1S/C15H19BrN2/c1-10-15(11-5-7-17-8-6-11)13-9-12(16)3-4-14(13)18(10)2/h3-4,9,11,17H,5-8H2,1-2H3
InChIKeyOLTLVKIWFSMYRA-UHFFFAOYSA-N
XLogP3.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 117451851
4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine
CID 84610059
3-bromo-5-tert-butyl-1-methyl-2-piperidin-4-ylindole
CID 84646915
4-(5-bromo-1-methylpyrrol-3-yl)piperidine
CID 84703722
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160
8-bromo-1,3-dimethyl-5-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 51030378
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
1,3-dimethyl-2-piperidin-4-ylindole
CID 84625558
5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
CID 82666551
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
5-bromo-1-methyl-3-pyrrolidin-2-ylindole
CID 82667567

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole?
The IUPAC name of 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole (CID 82278169) is 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole.
What is the SMILES notation for 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole?
The canonical SMILES for 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole is Cc1c(C2CCNCC2)c2cc(Br)ccc2n1C.
What is the InChIKey of 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole?
The InChIKey is OLTLVKIWFSMYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-10-15(11-5-7-17-8-6-11)13-9-12(16)3-4-14(13)18(10)2/h3-4,9,11,17H,5-8H2,1-2H3.
What are the key properties of 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole?
5-bromo-1,2-dimethyl-3-piperidin-4-ylindole has a molecular weight of 307.23 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2-dimethyl-3-piperidin-4-ylindole is sourced from PubChem (CID 82278169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).