4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline

C16H19BrN2 — CID 102961080

IUPAC4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
SMILESCc1cc(N2CCC(C)C(Br)C2)c2ccccc2n1
InChIInChI=1S/C16H19BrN2/c1-11-7-8-19(10-14(11)17)16-9-12(2)18-15-6-4-3-5-13(15)16/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyWSHXWUDNKSZLKQ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.15
Rot. Bonds1

About 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline

4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline (PubChem CID 102961080) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
PubChem CID102961080
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
SMILESCc1cc(N2CCC(C)C(Br)C2)c2ccccc2n1
InChIInChI=1S/C16H19BrN2/c1-11-7-8-19(10-14(11)17)16-9-12(2)18-15-6-4-3-5-13(15)16/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyWSHXWUDNKSZLKQ-UHFFFAOYSA-N
XLogP4.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
CID 102958619
1-(3-bromo-4-methylpiperidin-1-yl)-4-methylphthalazine
CID 102961043
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine
CID 95556392
N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
CID 115305596
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
1-(6-amino-2-methylquinolin-4-yl)-3-methylpiperidin-4-ol
CID 114677705

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline?
The IUPAC name of 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline (CID 102961080) is 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline.
What is the SMILES notation for 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline?
The canonical SMILES for 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline is Cc1cc(N2CCC(C)C(Br)C2)c2ccccc2n1.
What is the InChIKey of 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline?
The InChIKey is WSHXWUDNKSZLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-7-8-19(10-14(11)17)16-9-12(2)18-15-6-4-3-5-13(15)16/h3-6,9,11,14H,7-8,10H2,1-2H3.
What are the key properties of 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline?
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline has a molecular weight of 319.25 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline is sourced from PubChem (CID 102961080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).